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

Systemtic Name: 1-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-[(1-cyclohexyl-5-tetrazolyl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-[(1-cyclohexyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C18H26N7O4S2+ MolecularWeight: 468.57354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(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/p+1