2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-(4-pyrrolidinosulfonylphenyl)nicotinamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S2/c26-21(20-9-6-14-23-22(20)29-18-7-2-1-3-8-18)24-17-10-12-19(13-11-17)30(27,28)25-15-4-5-16-25/h1-3,6-14H,4-5,15-16H2,(H,24,26)