ethyl 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylate hydrochloride Openeye Name: ethyl 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylate hydrochloride CAS Name: 4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylate hydrochloride Traditional Name: 4-[4-(phenylthio)phenyl]sulfonylisonipecotic acid ethyl ester hydrochloride Formula: C20H24ClNO4S2 MolecularWeight: 441.99186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCNCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3.Cl

Isomeric SMILES

CCOC(=O)C1(CCNCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H23NO4S2.ClH/c1-2-25-19(22)20(12-14-21-15-13-20)27(23,24)18-10-8-17(9-11-18)26-16-6-4-3-5-7-16;/h3-11,21H,2,12-15H2,1H3;1H