(2-bromanyl-6-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) benzenesulfonate

Systemtic Name: (2-bromanyl-6-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) benzenesulfonate Openeye Name: [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-bromo-6-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H20BrNO4S2 MolecularWeight: 470.4004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20BrNO4S2/c1-24-17-13-14(19(26)21-10-6-3-7-11-21)12-16(20)18(17)25-27(22,23)15-8-4-2-5-9-15/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3