3-[[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide

Systemtic Name: 3-[[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonyl-benzamide Openeye Name: N-methylsulfonyl-3-[[5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzamide CAS Name: 3-[[[[5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-N-methylsulfonylbenzamide IUPAC Name: 3-[[5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-methylsulfonylbenzamide Traditional Name: 3-[[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-N-mesyl-benzamide Formula: C33H31N5O6S MolecularWeight: 625.69414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)NS(=O)(=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)NS(=O)(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C33H31N5O6S/c1-22-11-6-7-16-26(22)30(39)21-38-29-18-9-8-17-28(29)37(25-14-4-3-5-15-25)20-27(32(38)41)35-33(42)34-24-13-10-12-23(19-24)31(40)36-45(2,43)44/h3-19,27H,20-21H2,1-2H3,(H,36,40)(H2,34,35,42)