N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-nitro-benzenesulfonamide Formula: C16H16N6O4S MolecularWeight: 388.40104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C16H16N6O4S/c1-11-7-8-13(9-12(11)2)21-16(18-19-20-21)10-17-27(25,26)15-6-4-3-5-14(15)22(23)24/h3-9,17H,10H2,1-2H3