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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCCC2)C(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCCC2)C(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C

InChI

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