(3S)-2-[4-chloranyl-3-[(phenylmethyl)sulfamoyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[4-chloranyl-3-[(phenylmethyl)sulfamoyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(benzylsulfamoyl)-4-chloro-benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[4-chloro-3-[(phenylmethyl)sulfamoyl]phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-(benzylsulfamoyl)-4-chlorobenzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[3-(benzylsulfamoyl)-4-chloro-benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H22ClN3O4S MolecularWeight: 483.96718

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C24H22ClN3O4S/c25-20-11-10-18(13-22(20)33(31,32)27-14-16-6-2-1-3-7-16)24(30)28-15-19-9-5-4-8-17(19)12-21(28)23(26)29/h1-11,13,21,27H,12,14-15H2,(H2,26,29)/t21-/m0/s1