ethyl 1-ethyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-ethyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-ethyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-ethyl-4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-ethyl-4-[4-(phenylthio)phenyl]sulfonyl-isonipecotic acid ethyl ester Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CCN1CCC(CC1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S2/c1-3-23-16-14-22(15-17-23,21(24)27-4-2)29(25,26)20-12-10-19(11-13-20)28-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3