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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5S/c1-4-29(22-11-7-5-8-12-22)35(32,33)23-17-21(14-13-19(23)2)25(31)34-20(3)24(30)28-26(18-27)15-9-6-10-16-26/h5,7-8,11-14,17,20H,4,6,9-10,15-16H2,1-3H3,(H,28,30)