4-[4-(4-aminophenyl)sulfonylphenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[4-(4-aminophenyl)sulfonylphenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-(4-aminophenyl)sulfonylphenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-(4-aminophenyl)sulfonylphenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-(4-aminophenyl)sulfonylphenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 3-phenyl-4-(4-sulfanilylphenyl)sulfonyl-butyric acid Formula: C22H21NO6S2 MolecularWeight: 459.53524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C22H21NO6S2/c23-18-6-8-20(9-7-18)31(28,29)21-12-10-19(11-13-21)30(26,27)15-17(14-22(24)25)16-4-2-1-3-5-16/h1-13,17H,14-15,23H2,(H,24,25)