2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-2,5-dimethyl-anilino]acetic acid CAS Name: 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetic acid IUPAC Name: 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetic acid Traditional Name: 2-(N-besyl-2,5-dimethyl-anilino)acetic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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