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RDT

Summary
Name:(1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
Formula:C12 H18 N2 O4 S
Formal charge:0
Formula weight:286.347 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
OpenEye OEToolkits1.7.0(1R,2R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)N2C(c1c(cc(OC)c(OC)c1)CC2)C
SMILES_CANONICALCACTVS3.370COc1cc2CCN([C@H](C)c2cc1OC)[S](N)(=O)=O
SMILESCACTVS3.370COc1cc2CCN([CH](C)c2cc1OC)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC
SMILESOpenEye OEToolkits1.7.0CC1c2cc(c(cc2CCN1S(=O)(=O)N)OC)OC
InChIInChI1.03InChI=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-/m1/s1
InChIKeyInChI1.03GUJQIHRSATWPQA-MRVPVSSYSA-N

222415

数据于2024-07-10公开中

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