1-(4-methoxyphenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(3-thienylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(3-thiophenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-[2-(3-thenylthio)ethyl]isonipecotamide Formula: C20H26N2O4S3 MolecularWeight: 454.62644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CSC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C20H26N2O4S3/c1-26-18-2-4-19(5-3-18)29(24,25)22-10-6-17(7-11-22)20(23)21-9-13-28-15-16-8-12-27-14-16/h2-5,8,12,14,17H,6-7,9-11,13,15H2,1H3,(H,21,23)