[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C16H19N3O5S2/c1-26(22,23)19-9-7-18(8-10-19)14(20)12-24-16(21)15-13(4-11-25-15)17-5-2-3-6-17/h2-6,11H,7-10,12H2,1H3