4-(benzotriazol-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-(benzotriazol-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-(benzotriazol-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-(1-benzotriazolyl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-(benzotriazol-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-(benzotriazol-1-yl)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C19H12F3N5O4S MolecularWeight: 463.38989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H12F3N5O4S/c20-19(21,22)12-4-3-5-13(10-12)24-32(30,31)14-8-9-17(18(11-14)27(28)29)26-16-7-2-1-6-15(16)23-25-26/h1-11,24H