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

Systemtic Name: 4-methyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 4-methyl-5-(3-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-5-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-5-(3-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 4-methyl-5-(3-pyrrolidinosulfonylbenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O4S/c1-15-13-20(25)22-18-9-2-3-10-19(18)24(15)21(26)16-7-6-8-17(14-16)29(27,28)23-11-4-5-12-23/h2-3,6-10,14-15H,4-5,11-13H2,1H3,(H,22,25)