1-(4-methoxyphenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S2/c1-28-20-9-11-21(12-10-20)30(26,27)24-14-5-8-19(16-24)22(25)23-13-15-29-17-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-17H2,1H3,(H,23,25)