N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-(phenylthio)nicotinamide Formula: C22H20ClN3O3S2 MolecularWeight: 473.9955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3S2/c23-19-11-10-16(15-20(19)31(28,29)26-13-4-5-14-26)25-21(27)18-9-6-12-24-22(18)30-17-7-2-1-3-8-17/h1-3,6-12,15H,4-5,13-14H2,(H,25,27)