1-methyl-4-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-piperazine CAS Name: 1-methyl-4-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]sulfonylpiperazine Traditional Name: 1-methyl-4-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]sulfonyl-piperazine Formula: C15H19N5O4S2 MolecularWeight: 397.47246

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4S2/c1-17-7-9-19(10-8-17)26(23,24)12-3-4-14(13(11-12)20(21)22)25-15-16-5-6-18(15)2/h3-6,11H,7-10H2,1-2H3