4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide

Systemtic Name: 4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide Openeye Name: 4-(2,6-difluorophenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide CAS Name: 4-(2,6-difluorophenyl)sulfonyl-N-[2-(phenylthio)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,6-difluorophenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide Traditional Name: 4-(2,6-difluorophenyl)sulfonyl-N-[2-(phenylthio)ethyl]piperazine-1-carboxamide Formula: C19H21F2N3O3S2 MolecularWeight: 441.515146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CCN1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C19H21F2N3O3S2/c20-16-7-4-8-17(21)18(16)29(26,27)24-12-10-23(11-13-24)19(25)22-9-14-28-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,22,25)