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

Systemtic Name: 4-[[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-phenyl]sulfonylamino]benzoate Openeye Name: 4-[[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonylamino]benzoate CAS Name: 4-[[4-[(1-methyl-5-tetrazolyl)thio]-3-nitrophenyl]sulfonylamino]benzoate IUPAC Name: 4-[[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrophenyl]sulfonylamino]benzoate Traditional Name: 4-[[4-[(1-methyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonylamino]benzoate Formula: C15H11N6O6S2- MolecularWeight: 435.41444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O6S2/c1-20-15(16-18-19-20)28-13-7-6-11(8-12(13)21(24)25)29(26,27)17-10-4-2-9(3-5-10)14(22)23/h2-8,17H,1H3,(H,22,23)/p-1