1-[4-[2,5-bis(fluoranyl)phenyl]sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-[2,5-bis(fluoranyl)phenyl]sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-(2,5-difluorophenyl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-[(2,5-difluorophenyl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-(2,5-difluorophenyl)sulfanyl-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-[(2,5-difluorophenyl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C17H17F2N3O4S2 MolecularWeight: 429.461386

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=C(C=CC(=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F2N3O4S2/c1-20-6-8-21(9-7-20)28(25,26)13-3-5-16(15(11-13)22(23)24)27-17-10-12(18)2-4-14(17)19/h2-5,10-11H,6-9H2,1H3