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

Systemtic Name: 3-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[3-chloro-N-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)propanoic acid IUPAC Name: 3-(3-chloro-N-(4-methylphenyl)sulfonylanilino)propanoic acid Traditional Name: 3-(3-chloro-N-tosyl-anilino)propionic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO4S/c1-12-5-7-15(8-6-12)23(21,22)18(10-9-16(19)20)14-4-2-3-13(17)11-14/h2-8,11H,9-10H2,1H3,(H,19,20)