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

Systemtic Name: N-(2-chlorophenyl)sulfonyl-3-[(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzamide Openeye Name: N-(2-chlorophenyl)sulfonyl-3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzamide CAS Name: N-(2-chlorophenyl)sulfonyl-3-[[[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]benzamide IUPAC Name: N-(2-chlorophenyl)sulfonyl-3-[(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzamide Traditional Name: N-(2-chlorophenyl)sulfonyl-3-[(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzamide Formula: C30H30ClN5O5S MolecularWeight: 608.1077

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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=C4Cl)C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4Cl)C5CCCCC5

InChI

InChI=1S/C30H30ClN5O5S/c1-36-24-16-7-5-14-22(24)26(19-10-3-2-4-11-19)33-27(29(36)38)34-30(39)32-21-13-9-12-20(18-21)28(37)35-42(40,41)25-17-8-6-15-23(25)31/h5-9,12-19,27H,2-4,10-11H2,1H3,(H,35,37)(H2,32,34,39)