N-(2-cyclohexylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(cyclohexylthio)ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C23H36N2O3S2 MolecularWeight: 452.67354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)SCCNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H36N2O3S2/c26-23(24-15-17-29-22-13-5-2-6-14-22)21-12-7-16-25(19-21)30(27,28)18-8-11-20-9-3-1-4-10-20/h1,3-4,9-10,21-22H,2,5-8,11-19H2,(H,24,26)