N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-4-(3-pyridylmethylsulfanyl)benzamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-4-(3-pyridinylmethylthio)benzamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-4-(3-pyridylmethylthio)benzamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O4S2/c1-32-24-12-11-22(34(30,31)28-14-3-2-4-15-28)16-23(24)27-25(29)20-7-9-21(10-8-20)33-18-19-6-5-13-26-17-19/h5-13,16-17H,2-4,14-15,18H2,1H3,(H,27,29)