[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] thiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] thiophene-3-carboxylate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CSC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CSC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O5S2/c21-17(12-25-18(22)16-6-11-26-13-16)19-7-9-20(10-8-19)27(23,24)14-15-4-2-1-3-5-15/h1-6,11,13H,7-10,12,14H2