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

Systemtic Name: (2-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(=S)N3CCCCC3)OC

InChI

InChI=1S/C20H23NO4S2/c1-15-6-9-17(10-7-15)27(22,23)25-18-11-8-16(14-19(18)24-2)20(26)21-12-4-3-5-13-21/h6-11,14H,3-5,12-13H2,1-2H3