N-cyclohexyl-4-methyl-2-[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]pentanamide

Systemtic Name: N-cyclohexyl-4-methyl-2-[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]pentanamide Openeye Name: N-cyclohexyl-4-methyl-2-[5-oxo-1-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzodiazepin-4-yl]pentanamide CAS Name: N-cyclohexyl-4-methyl-2-[1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]pentanamide IUPAC Name: N-cyclohexyl-4-methyl-2-[1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]pentanamide Traditional Name: N-cyclohexyl-2-(5-keto-1-tosyl-2,3-dihydro-1,4-benzodiazepin-4-yl)-4-methyl-valeramide Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C3=CC=CC=C32)C(CC(C)C)C(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C3=CC=CC=C32)C(CC(C)C)C(=O)NC4CCCCC4

InChI

InChI=1S/C28H37N3O4S/c1-20(2)19-26(27(32)29-22-9-5-4-6-10-22)30-17-18-31(25-12-8-7-11-24(25)28(30)33)36(34,35)23-15-13-21(3)14-16-23/h7-8,11-16,20,22,26H,4-6,9-10,17-19H2,1-3H3,(H,29,32)