4-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(4-butylphenyl)tetrazol-5-yl]thio]-3-nitro-benzenesulfonamide Formula: C17H18N6O4S2 MolecularWeight: 434.49262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4S2/c1-2-3-4-12-5-7-13(8-6-12)22-17(19-20-21-22)28-16-10-9-14(29(18,26)27)11-15(16)23(24)25/h5-11H,2-4H2,1H3,(H2,18,26,27)