DT9

(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide

Created:	2010-12-08
Last modified:	2011-06-04

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1 entries where DT9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	6

2D diagram of DT9

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Chemical Component Summary
Name	(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
Systematic Name (OpenEye OEToolkits)	(1S,2R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
Formula	C₁₂ H₁₈ N₂ O₄ S
Molecular Weight	286.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)N2C(c1c(cc(OC)c(OC)c1)CC2)C
SMILES	CACTVS	3.370	COc1cc2CCN([CH](C)c2cc1OC)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.7.0	CC1c2cc(c(cc2CCN1S(=O)(=O)N)OC)OC
Canonical SMILES	CACTVS	3.370	COc1cc2CCN([C@@H](C)c2cc1OC)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC
InChI	InChI	1.03	InChI=1S/C12H18N2O4S/c1-8-10-7-12(18-3)11(17-2)6-9(10)4-5-14(8)19(13,15)16/h6-8H,4-5H2,1-3H3,(H2,13,15,16)/t8-/m0/s1
InChIKey	InChI	1.03	GUJQIHRSATWPQA-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	51000421

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