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

Systemtic Name: 1-(5-butanoyl-3-cyano-6-methylsulfanyl-pyridin-2-yl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-(5-butanoyl-3-cyano-6-methylsulfanyl-2-pyridyl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[3-cyano-6-(methylthio)-5-(1-oxobutyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-butanoyl-3-cyano-6-methylsulfanylpyridin-2-yl)-N-[(4-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-[5-butyryl-3-cyano-6-(methylthio)-2-pyridyl]-N-p-anisylsulfonyl-isonipecotamide Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C25H30N4O5S2/c1-4-5-22(30)21-14-19(15-26)23(27-25(21)35-3)29-12-10-18(11-13-29)24(31)28-36(32,33)16-17-6-8-20(34-2)9-7-17/h6-9,14,18H,4-5,10-13,16H2,1-3H3,(H,28,31)