1-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-[(1-cyclohexyl-5-tetrazolyl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-[(1-cyclohexyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C18H25N7O4S2 MolecularWeight: 467.5656

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H25N7O4S2/c1-22-9-11-23(12-10-22)31(28,29)15-7-8-17(16(13-15)25(26)27)30-18-19-20-21-24(18)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3