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

Systemtic Name: N-[[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[[1-(4-fluorophenyl)-5-tetrazolyl]methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C15H13FN6O4S MolecularWeight: 392.364923

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C15H13FN6O4S/c1-10-2-5-13(22(23)24)8-14(10)27(25,26)17-9-15-18-19-20-21(15)12-6-3-11(16)4-7-12/h2-8,17H,9H2,1H3