N-(1-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)-2-[3-(phenylsulfonyl)propanoylamino]propanamide

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)-2-[3-(phenylsulfonyl)propanoylamino]propanamide Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]-N-(1-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-N-(1-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]-N-(1-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-(3-besylpropanoylamino)-N-(2-keto-1-methyl-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C28H30N4O5S MolecularWeight: 534.6266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(N1)C3=CC=CC=C3)C)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(N1)C3=CC=CC=C3)C)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O5S/c1-19(29-24(33)17-18-38(36,37)21-13-7-4-8-14-21)27(34)31-26-28(35)32(2)23-16-10-9-15-22(23)25(30-26)20-11-5-3-6-12-20/h3-16,19,25-26,30H,17-18H2,1-2H3,(H,29,33)(H,31,34)