N-[5-cyano-6-(cyclopentylmethylsulfanyl)-2-(4-fluorophenyl)pyridin-3-yl]benzenesulfonamide

Systemtic Name: N-[5-cyano-6-(cyclopentylmethylsulfanyl)-2-(4-fluorophenyl)pyridin-3-yl]benzenesulfonamide Openeye Name: N-[5-cyano-6-(cyclopentylmethylsulfanyl)-2-(4-fluorophenyl)-3-pyridyl]benzenesulfonamide CAS Name: N-[5-cyano-6-(cyclopentylmethylthio)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide IUPAC Name: N-[5-cyano-6-(cyclopentylmethylsulfanyl)-2-(4-fluorophenyl)pyridin-3-yl]benzenesulfonamide Traditional Name: N-[5-cyano-6-(cyclopentylmethylthio)-2-(4-fluorophenyl)-3-pyridyl]benzenesulfonamide Formula: C24H22FN3O2S2 MolecularWeight: 467.578783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CSC2=NC(=C(C=C2C#N)NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)CSC2=NC(=C(C=C2C#N)NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O2S2/c25-20-12-10-18(11-13-20)23-22(28-32(29,30)21-8-2-1-3-9-21)14-19(15-26)24(27-23)31-16-17-6-4-5-7-17/h1-3,8-14,17,28H,4-7,16H2