1-methyl-4-(3-nitro-4-phenylsulfanyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-methyl-4-(3-nitro-4-phenylsulfanyl-phenyl)sulfonyl-piperazine Openeye Name: 1-methyl-4-(3-nitro-4-phenylsulfanyl-phenyl)sulfonyl-piperazine CAS Name: 1-methyl-4-[3-nitro-4-(phenylthio)phenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-(3-nitro-4-phenylsulfanylphenyl)sulfonylpiperazine Traditional Name: 1-methyl-4-[3-nitro-4-(phenylthio)phenyl]sulfonyl-piperazine Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1CCN(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