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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-methyl-3-(m-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(m-tolylsulfamoyl)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(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N)C

Isomeric SMILES

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

InChI

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