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

Systemtic Name: 2,3-dimethyl-N-[2-methyl-3-(1,2,3,4-tetrazol-1-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[2-methyl-3-(1-tetrazolyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[2-methyl-3-(tetrazol-1-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(=C2C)N3C=NN=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2C)N3C=NN=N3)[N+](=O)[O-]

InChI

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