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

Systemtic Name: N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O4S/c1-11-4-6-14(8-13(11)3)22-17(19-20-21-22)10-18-28(26,27)16-9-15(23(24)25)7-5-12(16)2/h4-9,18H,10H2,1-3H3