3-[(4-methylphenyl)sulfonyl-phenyl-amino]butanoic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-phenyl-amino]butanoic acid Openeye Name: 3-[N-(p-tolylsulfonyl)anilino]butanoic acid CAS Name: 3-(N-(4-methylphenyl)sulfonylanilino)butanoic acid IUPAC Name: 3-(N-(4-methylphenyl)sulfonylanilino)butanoic acid Traditional Name: 3-(N-tosylanilino)butyric acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C(C)CC(=O)O

InChI

InChI=1S/C17H19NO4S/c1-13-8-10-16(11-9-13)23(21,22)18(14(2)12-17(19)20)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,19,20)