N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-propan-2-ylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-propan-2-ylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-isopropylsulfanyl-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]pyridine-3-carboxamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(propan-2-ylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylsulfanylpyridine-3-carboxamide Traditional Name: 2-(isopropylthio)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)nicotinamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

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