N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(2-methyl-3-oxidanyl-phenyl)carbonylpiperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(2-methyl-3-oxidanyl-phenyl)carbonylpiperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-[1-(3-hydroxy-2-methyl-benzoyl)-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-[1-[(3-hydroxy-2-methylphenyl)-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(3-hydroxy-2-methylbenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-[1-(3-hydroxy-2-methyl-benzoyl)-4-piperidyl]-6-methyl-nicotinamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)C4=C(C(=CC=C4)O)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)C4=C(C(=CC=C4)O)C

InChI

InChI=1S/C27H31N3O4S/c1-18-8-9-23(26(32)28-12-16-35-17-21-5-4-15-34-21)25(29-18)20-10-13-30(14-11-20)27(33)22-6-3-7-24(31)19(22)2/h3-9,15,20,31H,10-14,16-17H2,1-2H3,(H,28,32)