1-(3-cyano-6-methylsulfanyl-5-pentanoyl-pyridin-2-yl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-cyano-6-methylsulfanyl-5-pentanoyl-pyridin-2-yl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-(3-cyano-6-methylsulfanyl-5-pentanoyl-2-pyridyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[3-cyano-6-(methylthio)-5-(1-oxopentyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-cyano-6-methylsulfanyl-5-pentanoylpyridin-2-yl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-[3-cyano-6-(methylthio)-5-valeryl-2-pyridyl]-N-p-anisylsulfonyl-isonipecotamide Formula: C26H32N4O5S2 MolecularWeight: 544.68608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)OC)SC

Isomeric SMILES

CCCCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)OC)SC

InChI

InChI=1S/C26H32N4O5S2/c1-4-5-6-23(31)22-15-20(16-27)24(28-26(22)36-3)30-13-11-19(12-14-30)25(32)29-37(33,34)17-18-7-9-21(35-2)10-8-18/h7-10,15,19H,4-6,11-14,17H2,1-3H3,(H,29,32)