4-chloranyl-5-[(4-ethylphenyl)sulfamoyl]-2-(2-phenylbutylamino)benzoic acid

Systemtic Name: 4-chloranyl-5-[(4-ethylphenyl)sulfamoyl]-2-(2-phenylbutylamino)benzoic acid Openeye Name: 4-chloro-5-[(4-ethylphenyl)sulfamoyl]-2-(2-phenylbutylamino)benzoic acid CAS Name: 4-chloro-5-[(4-ethylphenyl)sulfamoyl]-2-(2-phenylbutylamino)benzoic acid IUPAC Name: 4-chloro-5-[(4-ethylphenyl)sulfamoyl]-2-(2-phenylbutylamino)benzoic acid Traditional Name: 4-chloro-5-[(4-ethylphenyl)sulfamoyl]-2-(2-phenylbutylamino)benzoic acid Formula: C25H27ClN2O4S MolecularWeight: 487.01088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NCC(CC)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NCC(CC)C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H27ClN2O4S/c1-3-17-10-12-20(13-11-17)28-33(31,32)24-14-21(25(29)30)23(15-22(24)26)27-16-18(4-2)19-8-6-5-7-9-19/h5-15,18,27-28H,3-4,16H2,1-2H3,(H,29,30)