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

Systemtic Name: (2-bromanyl-6-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate Openeye Name: [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H22BrNO4S2 MolecularWeight: 484.42698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCCCC3)OC

InChI

InChI=1S/C20H22BrNO4S2/c1-14-6-8-16(9-7-14)28(23,24)26-19-17(21)12-15(13-18(19)25-2)20(27)22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11H2,1-2H3