2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[3,5-dimethyl-N-(p-tolylsulfonyl)anilino]acetic acid CAS Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetic acid IUPAC Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetic acid Traditional Name: 2-(3,5-dimethyl-N-tosyl-anilino)acetic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-12-4-6-16(7-5-12)23(21,22)18(11-17(19)20)15-9-13(2)8-14(3)10-15/h4-10H,11H2,1-3H3,(H,19,20)