N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-(phenylthio)nicotinamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S2/c1-2-32-23-14-13-20(34(30,31)28-16-7-4-8-17-28)18-22(23)27-24(29)21-12-9-15-26-25(21)33-19-10-5-3-6-11-19/h3,5-6,9-15,18H,2,4,7-8,16-17H2,1H3,(H,27,29)