2-[(2,6-dimethylphenyl)-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[(2,6-dimethylphenyl)-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-2,6-dimethyl-anilino]acetic acid CAS Name: 2-[N-(benzenesulfonyl)-2,6-dimethylanilino]acetic acid IUPAC Name: 2-[N-(benzenesulfonyl)-2,6-dimethylanilino]acetic acid Traditional Name: 2-(N-besyl-2,6-dimethyl-anilino)acetic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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