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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@H](C)C(=O)NC3(CCCCC3)C#N)OC

InChI

InChI=1S/C25H29N3O6S/c1-17-7-10-20(11-8-17)28-35(31,32)22-15-19(9-12-21(22)33-3)24(30)34-18(2)23(29)27-25(16-26)13-5-4-6-14-25/h7-12,15,18,28H,4-6,13-14H2,1-3H3,(H,27,29)/t18-/m1/s1