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

Systemtic Name: 1-[3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]sulfonylpiperidine Openeye Name: 1-[3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-phenyl]sulfonylpiperidine CAS Name: 1-[3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]phenyl]sulfonylpiperidine IUPAC Name: 1-[3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylphenyl]sulfonylpiperidine Traditional Name: 1-[3-nitro-4-[(1-phenyltetrazol-5-yl)thio]phenyl]sulfonylpiperidine Formula: C18H18N6O4S2 MolecularWeight: 446.50332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S2/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/h1,3-4,7-10,13H,2,5-6,11-12H2