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

Systemtic Name: 2-[(2,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[2,5-dimethyl-N-(p-tolylsulfonyl)anilino]acetic acid CAS Name: 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetic acid IUPAC Name: 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetic acid Traditional Name: 2-(2,5-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=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

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