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

Systemtic Name: methyl 3-[4-(phenylcarbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-(4-benzoylpiperazin-1-yl)sulfonylthiophene-2-carboxylate CAS Name: 3-[(4-benzoyl-1-piperazinyl)sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-benzoylpiperazin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-benzoylpiperazino)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O5S2/c1-24-17(21)15-14(7-12-25-15)26(22,23)19-10-8-18(9-11-19)16(20)13-5-3-2-4-6-13/h2-7,12H,8-11H2,1H3