6-(4-methoxyphenyl)sulfonyl-3-octylsulfonyl-1,2,3-benzotriazin-4-one

Systemtic Name: 6-(4-methoxyphenyl)sulfonyl-3-octylsulfonyl-1,2,3-benzotriazin-4-one Openeye Name: 6-(4-methoxyphenyl)sulfonyl-3-octylsulfonyl-1,2,3-benzotriazin-4-one CAS Name: 6-(4-methoxyphenyl)sulfonyl-3-octylsulfonyl-1,2,3-benzotriazin-4-one IUPAC Name: 6-(4-methoxyphenyl)sulfonyl-3-octylsulfonyl-1,2,3-benzotriazin-4-one Traditional Name: 6-(4-methoxyphenyl)sulfonyl-3-octylsulfonyl-1,2,3-benzotriazin-4-one Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1C(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)OC)N=N1

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1C(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)OC)N=N1

InChI

InChI=1S/C22H27N3O6S2/c1-3-4-5-6-7-8-15-32(27,28)25-22(26)20-16-19(13-14-21(20)23-24-25)33(29,30)18-11-9-17(31-2)10-12-18/h9-14,16H,3-8,15H2,1-2H3