N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[2-(difluoromethylsulfanyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[2-(difluoromethylthio)phenyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[2-(difluoromethylsulfanyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(difluoromethylthio)phenyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H22F2N2O3S2 MolecularWeight: 440.527086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3SC(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3SC(F)F

InChI

InChI=1S/C20H22F2N2O3S2/c21-20(22)28-18-6-2-1-5-17(18)23-19(25)12-9-15-7-10-16(11-8-15)29(26,27)24-13-3-4-14-24/h1-2,5-8,10-11,20H,3-4,9,12-14H2,(H,23,25)