dimethyl 5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-fluorophenyl)piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H21FN2O6S2 MolecularWeight: 456.508243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C19H21FN2O6S2/c1-12-15(17(23)27-2)19(29-16(12)18(24)28-3)30(25,26)22-10-8-21(9-11-22)14-7-5-4-6-13(14)20/h4-7H,8-11H2,1-3H3