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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H28N2O4S2/c1-28-19-5-3-17(4-6-19)11-14-23-22(25)18-12-15-24(16-13-18)30(26,27)21-9-7-20(29-2)8-10-21/h3-10,18H,11-16H2,1-2H3,(H,23,25)