3,4-dimethoxy-2-[2-[3-(methylsulfonylamino)phenyl]ethyl]benzoic acid

Systemtic Name: 3,4-dimethoxy-2-[2-[3-(methylsulfonylamino)phenyl]ethyl]benzoic acid Openeye Name: 2-[2-[3-(methanesulfonamido)phenyl]ethyl]-3,4-dimethoxy-benzoic acid CAS Name: 2-[2-[3-(methanesulfonamido)phenyl]ethyl]-3,4-dimethoxybenzoic acid IUPAC Name: 2-[2-[3-(methanesulfonamido)phenyl]ethyl]-3,4-dimethoxybenzoic acid Traditional Name: 2-[2-[3-(methanesulfonamido)phenyl]ethyl]-3,4-dimethoxy-benzoic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)O)CCC2=CC(=CC=C2)NS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)O)CCC2=CC(=CC=C2)NS(=O)(=O)C)OC

InChI

InChI=1S/C18H21NO6S/c1-24-16-10-9-15(18(20)21)14(17(16)25-2)8-7-12-5-4-6-13(11-12)19-26(3,22)23/h4-6,9-11,19H,7-8H2,1-3H3,(H,20,21)