[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C17H23N3O3S3 MolecularWeight: 413.57782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O3S3/c21-16(14-25-17(24)19-8-4-5-9-19)18-10-12-20(13-11-18)26(22,23)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2