1-(4-ethoxyphenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4S2/c1-2-29-21-8-10-22(11-9-21)31(27,28)25-15-12-20(13-16-25)23(26)24-14-17-30-18-19-6-4-3-5-7-19/h3-11,20H,2,12-18H2,1H3,(H,24,26)