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

Systemtic Name: N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)-2-(2-pyridylthio)acetamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H27N3O4S2/c1-16(2)28-19-10-9-17(30(26,27)24-12-6-3-7-13-24)14-18(19)23-20(25)15-29-21-8-4-5-11-22-21/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3,(H,23,25)