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

Systemtic Name: 1-[3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]sulfonylpiperidine Openeye Name: 1-[4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[3-nitro-4-[(1-propan-2-yl-5-tetrazolyl)thio]phenyl]sulfonylpiperidine IUPAC Name: 1-[3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylphenyl]sulfonylpiperidine Traditional Name: 1-[4-[(1-isopropyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C15H20N6O4S2 MolecularWeight: 412.4871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O4S2/c1-11(2)20-15(16-17-18-20)26-14-7-6-12(10-13(14)21(22)23)27(24,25)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3