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

Systemtic Name: 4-methyl-1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-piperidine Openeye Name: 4-methyl-1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-piperidine CAS Name: 4-methyl-1-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 4-methyl-1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]sulfonylpiperidine Traditional Name: 4-methyl-1-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]sulfonyl-piperidine Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S2/c1-12-5-8-19(9-6-12)26(23,24)13-3-4-15(14(11-13)20(21)22)25-16-17-7-10-18(16)2/h3-4,7,10-12H,5-6,8-9H2,1-2H3