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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]ethanoate Openeye Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]acetate CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]acetate IUPAC Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethylamino]acetate Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenethyl-amino]acetate Formula: C18H20NO6S- MolecularWeight: 378.4195

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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)/p-1