4-chloranyl-2-(1-phenylbutylamino)-5-(2-thiophen-2-ylethylsulfamoyl)benzoic acid

Systemtic Name: 4-chloranyl-2-(1-phenylbutylamino)-5-(2-thiophen-2-ylethylsulfamoyl)benzoic acid Openeye Name: 4-chloro-2-(1-phenylbutylamino)-5-[2-(2-thienyl)ethylsulfamoyl]benzoic acid CAS Name: 4-chloro-2-(1-phenylbutylamino)-5-(2-thiophen-2-ylethylsulfamoyl)benzoic acid IUPAC Name: 4-chloro-2-(1-phenylbutylamino)-5-(2-thiophen-2-ylethylsulfamoyl)benzoic acid Traditional Name: 4-chloro-2-(1-phenylbutylamino)-5-[2-(2-thienyl)ethylsulfamoyl]benzoic acid Formula: C23H25ClN2O4S2 MolecularWeight: 493.0386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C(=O)O)S(=O)(=O)NCCC3=CC=CS3)Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C(=O)O)S(=O)(=O)NCCC3=CC=CS3)Cl

InChI

InChI=1S/C23H25ClN2O4S2/c1-2-7-20(16-8-4-3-5-9-16)26-21-15-19(24)22(14-18(21)23(27)28)32(29,30)25-12-11-17-10-6-13-31-17/h3-6,8-10,13-15,20,25-26H,2,7,11-12H2,1H3,(H,27,28)