3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylic acid Openeye Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylic acid CAS Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylic acid Traditional Name: 3-[[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-thenoic acid Formula: C19H21NO7S2 MolecularWeight: 439.50254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C2=CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C2=CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)O)OC

InChI

InChI=1S/C19H21NO7S2/c1-25-13-10-14(26-2)17(15(11-13)27-3)12-4-7-20(8-5-12)29(23,24)16-6-9-28-18(16)19(21)22/h4,6,9-11H,5,7-8H2,1-3H3,(H,21,22)