dimethyl 3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[(4-phenyl-1-piperazinyl)sulfonyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(4-phenylpiperazin-1-yl)sulfonylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(4-phenylpiperazino)sulfonyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S2/c1-13-15(17(22)26-2)19(28-16(13)18(23)27-3)29(24,25)21-11-9-20(10-12-21)14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3