[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] thiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] thiophene-2-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O5S2/c20-16(13-24-17(21)15-7-4-12-25-15)18-8-10-19(11-9-18)26(22,23)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2