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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=S)OCC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)C(=S)OCC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

InChI

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