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

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO4S2/c1-3-25-20-15-17(21(27)22-13-5-4-6-14-22)9-12-19(20)26-28(23,24)18-10-7-16(2)8-11-18/h7-12,15H,3-6,13-14H2,1-2H3