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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O4S/c1-10-7-14(22(23)24)9-15(11(10)2)27(25,26)18-13-6-4-5-12(8-13)16-17-19-20-21(16)3/h4-9,18H,1-3H3