7-methyl-5-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-methyl-5-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-methyl-5-phenyl-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-methyl-4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-methyl-5-phenyl-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-methyl-5-phenyl-4-(4-pyrrolidinosulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H27N3O4S/c1-19-9-14-24-23(17-19)26(20-7-3-2-4-8-20)30(18-25(31)28-24)27(32)21-10-12-22(13-11-21)35(33,34)29-15-5-6-16-29/h2-4,7-14,17,26H,5-6,15-16,18H2,1H3,(H,28,31)