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

Systemtic Name: 3-[(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-(phenylsulfonyl)benzamide Openeye Name: N-(benzenesulfonyl)-3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzamide CAS Name: N-(benzenesulfonyl)-3-[[[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]benzamide IUPAC Name: N-(benzenesulfonyl)-3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzamide Traditional Name: N-besyl-3-[(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzamide Formula: C30H31N5O5S MolecularWeight: 573.66264

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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)C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C30H31N5O5S/c1-35-25-18-9-8-17-24(25)26(20-11-4-2-5-12-20)32-27(29(35)37)33-30(38)31-22-14-10-13-21(19-22)28(36)34-41(39,40)23-15-6-3-7-16-23/h3,6-10,13-20,27H,2,4-5,11-12H2,1H3,(H,34,36)(H2,31,33,38)