2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetic acid CAS Name: 2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)acetic acid IUPAC Name: 2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetic acid Traditional Name: 2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4S2/c1-12-3-5-13(6-4-12)17(11-16(18)19)23(20,21)15-9-7-14(22-2)8-10-15/h3-10H,11H2,1-2H3,(H,18,19)