[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O5S MolecularWeight: 469.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O5S/c1-18(22(28)27-24(17-25)13-6-3-7-14-24)32-23(29)20-11-8-12-21(15-20)33(30,31)26-16-19-9-4-2-5-10-19/h2,4-5,8-12,15,18,26H,3,6-7,13-14,16H2,1H3,(H,27,28)