3-azanyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoyl-benzoic acid

Systemtic Name: 3-azanyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoyl-benzoic acid Openeye Name: 3-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoyl-benzoic acid CAS Name: 3-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylbenzoic acid IUPAC Name: 3-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylbenzoic acid Traditional Name: 3-amino-4-homoveratryl-5-sulfamoyl-benzoic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N)OC

InChI

InChI=1S/C17H20N2O6S/c1-24-14-6-4-10(7-15(14)25-2)3-5-12-13(18)8-11(17(20)21)9-16(12)26(19,22)23/h4,6-9H,3,5,18H2,1-2H3,(H,20,21)(H2,19,22,23)