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

Systemtic Name: 1-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(1-methyl-5-tetrazolyl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(1-methyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C13H16N6O4S2 MolecularWeight: 384.43394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O4S2/c1-17-13(14-15-16-17)24-12-6-5-10(9-11(12)19(20)21)25(22,23)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3