N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-2-(phenylthio)nicotinamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4S2/c26-20-11-10-17(31(28,29)25-13-4-5-14-25)15-19(20)24-21(27)18-9-6-12-23-22(18)30-16-7-2-1-3-8-16/h1-3,6-12,15,26H,4-5,13-14H2,(H,24,27)