N-(2-cyclohexylsulfanylethyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-(cyclohexylthio)ethyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C21H32N2O4S2 MolecularWeight: 440.61978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSC3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSC3CCCCC3

InChI

InChI=1S/C21H32N2O4S2/c1-27-18-9-11-20(12-10-18)29(25,26)23-14-5-6-17(16-23)21(24)22-13-15-28-19-7-3-2-4-8-19/h9-12,17,19H,2-8,13-16H2,1H3,(H,22,24)