[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(propylsulfamoyl)benzoate

Systemtic Name: [(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(propylsulfamoyl)benzoate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(propylsulfamoyl)benzoate CAS Name: 3-(propylsulfamoyl)benzoic acid [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(propylsulfamoyl)benzoate Traditional Name: 3-(propylsulfamoyl)benzoic acid [(1R)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H26N2O5S/c1-5-11-22-29(26,27)18-8-6-7-17(13-18)21(25)28-16(4)20(24)23-19-12-14(2)9-10-15(19)3/h6-10,12-13,16,22H,5,11H2,1-4H3,(H,23,24)/t16-/m1/s1