[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C25H29N3O5S/c1-18-7-13-22(14-8-18)34(31,32)28(3)21-11-9-20(10-12-21)24(30)33-19(2)23(29)27-25(17-26)15-5-4-6-16-25/h7-14,19H,4-6,15-16H2,1-3H3,(H,27,29)