3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]benzenesulfonamide Openeye Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]benzenesulfonamide CAS Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]benzenesulfonamide IUPAC Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]benzenesulfonamide Traditional Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]benzenesulfonamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC(=C3C(=C2)N=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC(=C3C(=C2)N=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)N)C

InChI

InChI=1S/C22H21N5O2S/c1-13-6-4-7-14(2)20(13)16-10-15(3)21-19(11-16)26-27-22(25-21)24-17-8-5-9-18(12-17)30(23,28)29/h4-12H,1-3H3,(H2,23,28,29)(H,24,25,27)