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

Systemtic Name: 4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]-3-nitro-N-phenyl-benzenesulfonamide Formula: C21H18N6O5S2 MolecularWeight: 498.53482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O5S2/c1-14-8-10-19(32-2)17(12-14)26-21(22-24-25-26)33-20-11-9-16(13-18(20)27(28)29)34(30,31)23-15-6-4-3-5-7-15/h3-13,23H,1-2H3