N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H24N4O3S2/c22-14-18-4-1-2-5-19(18)16-29-13-10-24-21(26)17-7-11-25(12-8-17)30(27,28)20-6-3-9-23-15-20/h1-6,9,15,17H,7-8,10-13,16H2,(H,24,26)