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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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)N(C)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6S/c1-18(23(29)27-25(17-26)14-5-4-6-15-25)34-24(30)19-8-7-9-22(16-19)35(31,32)28(2)20-10-12-21(33-3)13-11-20/h7-13,16,18H,4-6,14-15H2,1-3H3,(H,27,29)