3-[[2-(4-methylphenyl)sulfonylphenyl]amino]propanoic acid

Systemtic Name: 3-[[2-(4-methylphenyl)sulfonylphenyl]amino]propanoic acid Openeye Name: 3-[2-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 3-[2-(4-methylphenyl)sulfonylanilino]propanoic acid IUPAC Name: 3-[2-(4-methylphenyl)sulfonylanilino]propanoic acid Traditional Name: 3-(2-tosylanilino)propionic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NCCC(=O)O

InChI

InChI=1S/C16H17NO4S/c1-12-6-8-13(9-7-12)22(20,21)15-5-3-2-4-14(15)17-11-10-16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)