N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboxamide

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboxamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(o-tolylsulfonylamino)cyclohexanecarboxamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(2-methylphenyl)sulfonylamino]-1-cyclohexanecarboxamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboxamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(o-tolylsulfonylamino)cyclohexanecarboxamide Formula: C30H32N4O4S MolecularWeight: 544.66448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2(CCCCC2)C(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2(CCCCC2)C(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C

InChI

InChI=1S/C30H32N4O4S/c1-21-13-7-10-18-25(21)39(37,38)33-30(19-11-4-12-20-30)29(36)32-27-28(35)34(2)24-17-9-8-16-23(24)26(31-27)22-14-5-3-6-15-22/h3,5-10,13-18,27,33H,4,11-12,19-20H2,1-2H3,(H,32,36)