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

Systemtic Name: 3-[(4-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[4-chloro-N-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 3-(4-chloro-N-(4-methylphenyl)sulfonylanilino)propanoic acid IUPAC Name: 3-(4-chloro-N-(4-methylphenyl)sulfonylanilino)propanoic acid Traditional Name: 3-(4-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=C(C=C2)Cl

Isomeric SMILES

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

InChI

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