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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C19H30N2O4S2 MolecularWeight: 414.5825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4S2/c1-19(2,3)26-13-11-20-18(22)15-6-5-12-21(14-15)27(23,24)17-9-7-16(25-4)8-10-17/h7-10,15H,5-6,11-14H2,1-4H3,(H,20,22)