4,5-dimethoxy-2-[methylsulfonyl-(phenylmethyl)amino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[methylsulfonyl-(phenylmethyl)amino]benzoic acid Openeye Name: 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-benzoic acid CAS Name: 4,5-dimethoxy-2-[methylsulfonyl-(phenylmethyl)amino]benzoic acid IUPAC Name: 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[benzyl(mesyl)amino]-4,5-dimethoxy-benzoic acid Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6S/c1-23-15-9-13(17(19)20)14(10-16(15)24-2)18(25(3,21)22)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)