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

Systemtic Name: N-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[[1-(4-methoxyphenyl)-5-tetrazolyl]methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C16H16N6O5S MolecularWeight: 404.40044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=NN=NN2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=NN=NN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H16N6O5S/c1-11-3-4-13(22(23)24)9-15(11)28(25,26)17-10-16-18-19-20-21(16)12-5-7-14(27-2)8-6-12/h3-9,17H,10H2,1-2H3