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

Systemtic Name: 1-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-[(1-methyl-5-tetrazolyl)thio]-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-[(1-methyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonylazepane Formula: C14H18N6O4S2 MolecularWeight: 398.46052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O4S2/c1-18-14(15-16-17-18)25-13-7-6-11(10-12(13)20(21)22)26(23,24)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3