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

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-chloranylbenzenesulfonate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H22ClNO4S2 MolecularWeight: 439.97598

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S2/c1-2-25-19-14-15(20(27)22-12-4-3-5-13-22)6-11-18(19)26-28(23,24)17-9-7-16(21)8-10-17/h6-11,14H,2-5,12-13H2,1H3