N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-[4-(difluoromethylthio)phenyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propanamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-[4-(2-thienylsulfonyl)piperazino]propionamide Formula: C18H21F2N3O3S3 MolecularWeight: 461.569446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)SC(F)F)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)SC(F)F)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21F2N3O3S3/c1-13(17(24)21-14-4-6-15(7-5-14)28-18(19)20)22-8-10-23(11-9-22)29(25,26)16-3-2-12-27-16/h2-7,12-13,18H,8-11H2,1H3,(H,21,24)