methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-o-phenetylpiperazino)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H22N2O5S2/c1-3-25-15-7-5-4-6-14(15)19-9-11-20(12-10-19)27(22,23)16-8-13-26-17(16)18(21)24-2/h4-8,13H,3,9-12H2,1-2H3