4-[[(4-methoxyphenyl)-methylsulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-methoxyphenyl)-methylsulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[(4-methoxy-N-methylsulfonyl-anilino)methyl]benzoic acid CAS Name: 4-[(4-methoxy-N-methylsulfonylanilino)methyl]benzoic acid IUPAC Name: 4-[(4-methoxy-N-methylsulfonylanilino)methyl]benzoic acid Traditional Name: 4-[(N-mesyl-4-methoxy-anilino)methyl]benzoic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C16H17NO5S/c1-22-15-9-7-14(8-10-15)17(23(2,20)21)11-12-3-5-13(6-4-12)16(18)19/h3-10H,11H2,1-2H3,(H,18,19)