[1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 3-[methyl(p-tolyl)sulfamoyl]benzoate CAS Name: 3-[methyl-(4-methylphenyl)sulfamoyl]benzoic acid [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(p-tolyl)sulfamoyl]benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C26H31N3O5S/c1-19-11-13-22(14-12-19)29(4)35(32,33)23-10-8-9-21(17-23)25(31)34-20(2)24(30)28(3)26(18-27)15-6-5-7-16-26/h8-14,17,20H,5-7,15-16H2,1-4H3