DT7

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

Created:2009-07-31
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count6
2D diagram of DT7

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Chemical Component Summary

Name6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide
Systematic Name (OpenEye OEToolkits)(2R)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
FormulaC11 H16 N2 O4 S
Molecular Weight272.321
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=S(=O)(N)N2Cc1c(cc(OC)c(OC)c1)CC2
SMILESCACTVS3.352COc1cc2CCN(Cc2cc1OC)[S](N)(=O)=O
SMILESOpenEye OEToolkits1.7.0COc1cc2c(cc1OC)CN(CC2)S(=O)(=O)N
Canonical SMILESCACTVS3.352 COc1cc2CCN(Cc2cc1OC)[S](N)(=O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C11H16N2O4S/c1-16-10-5-8-3-4-13(18(12,14)15)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H2,12,14,15)
InChIKeyInChI1.03 YDCHIXAESCPAOW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1089044
PubChem 43132043
ChEMBL CHEMBL1089044