3-(4-decoxyphenyl)sulfonyl-6-(phenylsulfonyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(4-decoxyphenyl)sulfonyl-6-(phenylsulfonyl)-1,2,3-benzotriazin-4-one Openeye Name: 6-(benzenesulfonyl)-3-(4-decoxyphenyl)sulfonyl-1,2,3-benzotriazin-4-one CAS Name: 6-(benzenesulfonyl)-3-(4-decoxyphenyl)sulfonyl-1,2,3-benzotriazin-4-one IUPAC Name: 6-(benzenesulfonyl)-3-(4-decoxyphenyl)sulfonyl-1,2,3-benzotriazin-4-one Traditional Name: 6-besyl-3-(4-decoxyphenyl)sulfonyl-1,2,3-benzotriazin-4-one Formula: C29H33N3O6S2 MolecularWeight: 583.71882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)S(=O)(=O)C4=CC=CC=C4)N=N2

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=C(C=CC(=C3)S(=O)(=O)C4=CC=CC=C4)N=N2

InChI

InChI=1S/C29H33N3O6S2/c1-2-3-4-5-6-7-8-12-21-38-23-15-17-25(18-16-23)40(36,37)32-29(33)27-22-26(19-20-28(27)30-31-32)39(34,35)24-13-10-9-11-14-24/h9-11,13-20,22H,2-8,12,21H2,1H3