2-methyl-5-piperidin-1-ylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

Systemtic Name: 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 2-methyl-5-(1-piperidylsulfonyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzamide CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)-N-[4-(3-pyridinylmethylthio)phenyl]benzamide IUPAC Name: 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 2-methyl-5-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)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

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