N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-2-(2-pyridylthio)acetamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C19H23N3O4S2/c1-26-17-9-8-15(28(24,25)22-11-5-2-6-12-22)13-16(17)21-18(23)14-27-19-7-3-4-10-20-19/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,21,23)