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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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count1
Bond Count38
Aromatic Bond Count6
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
FormulaC12 H18 N2 O4 S
Molecular Weight286.347
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)N2C(c1c(cc(OC)c(OC)c1)CC2)C
SMILESCACTVS3.370COc1cc2CCN([CH](C)c2cc1OC)[S](N)(=O)=O
SMILESOpenEye OEToolkits1.7.0CC1c2cc(c(cc2CCN1S(=O)(=O)N)OC)OC
Canonical SMILESCACTVS3.370 COc1cc2CCN([C@@H](C)c2cc1OC)[S](N)(=O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 C[C@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC
InChIInChI1.03 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
InChIKeyInChI1.03 GUJQIHRSATWPQA-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 51000421