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

Systemtic Name: (3S)-2-[4-methyl-3-[(phenylmethyl)sulfamoyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(benzylsulfamoyl)-4-methyl-benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[4-methyl-3-[(phenylmethyl)sulfamoyl]phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-(benzylsulfamoyl)-4-methylbenzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[3-(benzylsulfamoyl)-4-methyl-benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)N)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c1-17-11-12-20(14-23(17)33(31,32)27-15-18-7-3-2-4-8-18)25(30)28-16-21-10-6-5-9-19(21)13-22(28)24(26)29/h2-12,14,22,27H,13,15-16H2,1H3,(H2,26,29)/t22-/m0/s1