4-chloranyl-5-(cyclohexylmethylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid

Systemtic Name: 4-chloranyl-5-(cyclohexylmethylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid Openeye Name: 4-chloro-5-(cyclohexylmethylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid CAS Name: 4-chloro-5-(cyclohexylmethylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid IUPAC Name: 4-chloro-5-(cyclohexylmethylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid Traditional Name: 4-chloro-5-(cyclohexylmethylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid Formula: C24H31ClN2O4S MolecularWeight: 479.03194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2CCCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2CCCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C24H31ClN2O4S/c1-2-18(19-11-7-4-8-12-19)16-26-22-14-21(25)23(13-20(22)24(28)29)32(30,31)27-15-17-9-5-3-6-10-17/h4,7-8,11-14,17-18,26-27H,2-3,5-6,9-10,15-16H2,1H3,(H,28,29)