4-methyl-N-[5-methyl-1-(4-methylphenyl)sulfonyl-benzotriazol-4-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[5-methyl-1-(4-methylphenyl)sulfonyl-benzotriazol-4-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[5-methyl-1-(p-tolylsulfonyl)benzotriazol-4-yl]benzenesulfonamide CAS Name: 4-methyl-N-[5-methyl-1-(4-methylphenyl)sulfonyl-4-benzotriazolyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[5-methyl-1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide Traditional Name: 4-methyl-N-(5-methyl-1-tosyl-benzotriazol-4-yl)benzenesulfonamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC3=C2N=NN3S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC3=C2N=NN3S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C21H20N4O4S2/c1-14-4-9-17(10-5-14)30(26,27)23-20-16(3)8-13-19-21(20)22-24-25(19)31(28,29)18-11-6-15(2)7-12-18/h4-13,23H,1-3H3