F83

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Summary

Name:(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Synonyms:3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
Formula:C16 H17 Cl N2 O3 S
Formal charge:0
Molecular weight:352.836 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
OpenEye OEToolkits1.5.0(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3
SMILESCACTVS3.341OC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO)Cl
InChIInChI1.03InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2/t15-/m1/s1
InChIKeyInChI1.03YTBGBMPLINFTBQ-OAHLLOKOSA-N