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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]ethanoic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]acetic acid CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]acetic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]acetic acid Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]acetic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)O)OC

InChI

InChI=1S/C18H21NO6S/c1-24-16-9-8-15(12-17(16)25-2)26(22,23)19(13-18(20)21)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)