2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(sulfinoamino)benzoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(sulfinoamino)benzoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(sulfinoamino)benzoic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(sulfinoamino)benzoic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(sulfinoamino)benzoic acid Traditional Name: 2-(homoveratrylamino)-5-(sulfinoamino)benzoic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)NS(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)NS(=O)O)C(=O)O)OC

InChI

InChI=1S/C17H20N2O6S/c1-24-15-6-3-11(9-16(15)25-2)7-8-18-14-5-4-12(19-26(22)23)10-13(14)17(20)21/h3-6,9-10,18-19H,7-8H2,1-2H3,(H,20,21)(H,22,23)