2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)pyridine-3-carboxamide Openeye Name: N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)pyridine-3-carboxamide Traditional Name: N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)-2-(methylthio)nicotinamide 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)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H27N3O4S2/c1-15(2)28-19-10-9-16(30(26,27)24-12-5-4-6-13-24)14-18(19)23-20(25)17-8-7-11-22-21(17)29-3/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,23,25)