N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-4-(3-pyridylmethylsulfanyl)benzamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-(3-pyridinylmethylthio)benzamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide Traditional Name: N-[4-(4-methylpiperidino)sulfonylphenyl]-4-(3-pyridylmethylthio)benzamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c1-19-12-15-28(16-13-19)33(30,31)24-10-6-22(7-11-24)27-25(29)21-4-8-23(9-5-21)32-18-20-3-2-14-26-17-20/h2-11,14,17,19H,12-13,15-16,18H2,1H3,(H,27,29)