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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCCC2=CC=CS2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCCC2=CC=CS2)Cl)C3=CC=CC=C3

InChI

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