3-[(1-methyl-2-oxidanylidene-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-(phenylsulfonyl)benzamide

Systemtic Name: 3-[(1-methyl-2-oxidanylidene-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-(phenylsulfonyl)benzamide Openeye Name: N-(benzenesulfonyl)-3-[[1-methyl-2-oxo-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzamide CAS Name: N-(benzenesulfonyl)-3-[[[(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]benzamide IUPAC Name: N-(benzenesulfonyl)-3-[(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzamide Traditional Name: N-besyl-3-[[2-keto-1-methyl-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzamide Formula: C29H24N6O5S MolecularWeight: 568.60306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C29H24N6O5S/c1-35-24-13-6-5-12-23(24)25(19-14-16-30-17-15-19)32-26(28(35)37)33-29(38)31-21-9-7-8-20(18-21)27(36)34-41(39,40)22-10-3-2-4-11-22/h2-18,26H,1H3,(H,34,36)(H2,31,33,38)