2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoic acid Openeye Name: 2-(4-benzyloxy-N-methylsulfonyl-anilino)acetic acid CAS Name: 2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetic acid IUPAC Name: 2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetic acid Traditional Name: 2-(4-benzoxy-N-mesyl-anilino)acetic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO5S/c1-23(20,21)17(11-16(18)19)14-7-9-15(10-8-14)22-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19)