4-methyl-3-piperidin-1-ylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

Systemtic Name: 4-methyl-3-piperidin-1-ylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 4-methyl-3-(1-piperidylsulfonyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzamide CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)-N-[4-(3-pyridinylmethylthio)phenyl]benzamide IUPAC Name: 4-methyl-3-piperidin-1-ylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 4-methyl-3-piperidinosulfonyl-N-[4-(3-pyridylmethylthio)phenyl]benzamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H27N3O3S2/c1-19-7-8-21(16-24(19)33(30,31)28-14-3-2-4-15-28)25(29)27-22-9-11-23(12-10-22)32-18-20-6-5-13-26-17-20/h5-13,16-17H,2-4,14-15,18H2,1H3,(H,27,29)