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

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoic acid Openeye Name: 3-[N-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 3-(N-(4-methylphenyl)sulfonylanilino)propanoic acid IUPAC Name: 3-(N-(4-methylphenyl)sulfonylanilino)propanoic acid Traditional Name: 3-(N-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)N(CCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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