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

Systemtic Name: N-[3-[(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]sulfonylbenzamide Openeye Name: N-[3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]sulfonylbenzamide CAS Name: N-[3-[[[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]sulfonylbenzamide Traditional Name: N-[3-[(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]sulfonylbenzamide 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)S(=O)(=O)NC(=O)C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC(=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)31-22-15-10-16-23(19-22)41(39,40)34-28(36)21-13-6-3-7-14-21/h3,6-10,13-20,27H,2,4-5,11-12H2,1H3,(H,34,36)(H2,31,33,38)