2-[(3,4-dimethoxyphenyl)-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-3,4-dimethoxy-anilino]acetic acid CAS Name: 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetic acid IUPAC Name: 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetic acid Traditional Name: 2-(N-besyl-3,4-dimethoxy-anilino)acetic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C16H17NO6S/c1-22-14-9-8-12(10-15(14)23-2)17(11-16(18)19)24(20,21)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,19)