[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [2-[ethyl(veratryl)amino]-2-keto-ethyl] ester Formula: C18H22N2O7S2 MolecularWeight: 442.50648

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CSC(=C2)S(=O)(=O)N

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CSC(=C2)S(=O)(=O)N

InChI

InChI=1S/C18H22N2O7S2/c1-4-20(9-12-5-6-14(25-2)15(7-12)26-3)16(21)10-27-18(22)13-8-17(28-11-13)29(19,23)24/h5-8,11H,4,9-10H2,1-3H3,(H2,19,23,24)