N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-(2-pyridylthio)acetamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=N2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=N2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O4S2/c1-2-27-17-10-9-16(22-19(24)15-28-20-8-4-5-11-21-20)14-18(17)29(25,26)23-12-6-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,22,24)