N-(2-tert-butylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C21H34N2O3S2 MolecularWeight: 426.63626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1CCCN(C1)S(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CCCN(C1)S(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H34N2O3S2/c1-21(2,3)27-15-13-22-20(24)19-12-7-14-23(17-19)28(25,26)16-8-11-18-9-5-4-6-10-18/h4-6,9-10,19H,7-8,11-17H2,1-3H3,(H,22,24)