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

Systemtic Name: 3-[(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-(2-methylphenyl)sulfonyl-benzamide Openeye Name: 3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-(o-tolylsulfonyl)benzamide CAS Name: 3-[[[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]-N-(2-methylphenyl)sulfonylbenzamide IUPAC Name: 3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-(2-methylphenyl)sulfonylbenzamide Traditional Name: 3-[(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-N-(o-tolylsulfonyl)benzamide Formula: C31H33N5O5S MolecularWeight: 587.68922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=CC=C2)NC(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5CCCCC5)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=CC=C2)NC(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5CCCCC5)C

InChI

InChI=1S/C31H33N5O5S/c1-20-11-6-9-18-26(20)42(40,41)35-29(37)22-14-10-15-23(19-22)32-31(39)34-28-30(38)36(2)25-17-8-7-16-24(25)27(33-28)21-12-4-3-5-13-21/h6-11,14-19,21,28H,3-5,12-13H2,1-2H3,(H,35,37)(H2,32,34,39)