[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O5S3/c25-20(16-29-21(26)17-6-8-18(9-7-17)22-30-14-15-31-22)23-10-12-24(13-11-23)32(27,28)19-4-2-1-3-5-19/h1-9,22H,10-16H2