1-methyl-4-(3-nitro-4-phenylsulfanyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(3-nitro-4-phenylsulfanyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(3-nitro-4-phenylsulfanyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[3-nitro-4-(phenylthio)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(3-nitro-4-phenylsulfanylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[3-nitro-4-(phenylthio)phenyl]sulfonyl-piperazin-1-ium Formula: C17H20N3O4S2+ MolecularWeight: 394.4884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S2/c1-18-9-11-19(12-10-18)26(23,24)15-7-8-17(16(13-15)20(21)22)25-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3/p+1