S-[[4-(phenylsulfonyloxy)phenyl]methyl] piperazine-1-carbothioate

Systemtic Name: S-[[4-(phenylsulfonyloxy)phenyl]methyl] piperazine-1-carbothioate Openeye Name: S-[[4-(benzenesulfonyloxy)phenyl]methyl] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[[4-(benzenesulfonyloxy)phenyl]methyl] ester IUPAC Name: S-[[4-(benzenesulfonyloxy)phenyl]methyl] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-(4-besyloxybenzyl) ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O4S2/c21-18(20-12-10-19-11-13-20)25-14-15-6-8-16(9-7-15)24-26(22,23)17-4-2-1-3-5-17/h1-9,19H,10-14H2