N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(diethylamino)-5-(1-piperidylsulfonyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(diethylamino)-5-(1-piperidinylsulfonyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(diethylamino)-5-piperidinosulfonyl-phenyl]-2-(methylthio)nicotinamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C22H30N4O3S2/c1-4-25(5-2)20-12-11-17(31(28,29)26-14-7-6-8-15-26)16-19(20)24-21(27)18-10-9-13-23-22(18)30-3/h9-13,16H,4-8,14-15H2,1-3H3,(H,24,27)