2-[[4-(4-methylphenyl)phenyl]-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(4-methylphenyl)phenyl]-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-[N-methylsulfonyl-4-(p-tolyl)anilino]acetic acid CAS Name: 2-[4-(4-methylphenyl)-N-methylsulfonylanilino]acetic acid IUPAC Name: 2-[4-(4-methylphenyl)-N-methylsulfonylanilino]acetic acid Traditional Name: 2-[N-mesyl-4-(p-tolyl)anilino]acetic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4S/c1-12-3-5-13(6-4-12)14-7-9-15(10-8-14)17(11-16(18)19)22(2,20)21/h3-10H,11H2,1-2H3,(H,18,19)