4-[2,4-bis(fluoranyl)phenyl]sulfonyl-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide

Systemtic Name: 4-[2,4-bis(fluoranyl)phenyl]sulfonyl-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide Openeye Name: 4-(2,4-difluorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide CAS Name: 4-(2,4-difluorophenyl)sulfonyl-N-[3-(phenylthio)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,4-difluorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide Traditional Name: 4-(2,4-difluorophenyl)sulfonyl-N-[3-(phenylthio)propyl]piperazine-1-carboxamide Formula: C20H23F2N3O3S2 MolecularWeight: 455.541726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CCN1C(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C20H23F2N3O3S2/c21-16-7-8-19(18(22)15-16)30(27,28)25-12-10-24(11-13-25)20(26)23-9-4-14-29-17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14H2,(H,23,26)