tert-butyl 4-[[4-(phenylsulfonyloxy)phenyl]methoxycarbothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(phenylsulfonyloxy)phenyl]methoxycarbothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(benzenesulfonyloxy)phenyl]methoxycarbothioyl]piperazine-1-carboxylate CAS Name: 4-[[4-(benzenesulfonyloxy)phenyl]methoxy-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(benzenesulfonyloxy)phenyl]methoxycarbothioyl]piperazine-1-carboxylate Traditional Name: 4-(4-besyloxybenzyl)oxycarbothioylpiperazine-1-carboxylic acid tert-butyl ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)OCC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)OCC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S2/c1-23(2,3)30-21(26)24-13-15-25(16-14-24)22(32)29-17-18-9-11-19(12-10-18)31-33(27,28)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3