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

Systemtic Name: 1-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(1-cyclohexyl-5-tetrazolyl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(1-cyclohexyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C18H24N6O4S2 MolecularWeight: 452.55096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4S2/c25-24(26)16-13-15(30(27,28)22-11-5-2-6-12-22)9-10-17(16)29-18-19-20-21-23(18)14-7-3-1-4-8-14/h9-10,13-14H,1-8,11-12H2