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

Systemtic Name: 3-(4-decoxyphenyl)sulfonyl-6-methylsulfonyl-1,2,3-benzotriazin-4-one Openeye Name: 3-(4-decoxyphenyl)sulfonyl-6-methylsulfonyl-1,2,3-benzotriazin-4-one CAS Name: 3-(4-decoxyphenyl)sulfonyl-6-methylsulfonyl-1,2,3-benzotriazin-4-one IUPAC Name: 3-(4-decoxyphenyl)sulfonyl-6-methylsulfonyl-1,2,3-benzotriazin-4-one Traditional Name: 3-(4-decoxyphenyl)sulfonyl-6-mesyl-1,2,3-benzotriazin-4-one Formula: C24H31N3O6S2 MolecularWeight: 521.64944

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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)C)N=N2

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S2/c1-3-4-5-6-7-8-9-10-17-33-19-11-13-20(14-12-19)35(31,32)27-24(28)22-18-21(34(2,29)30)15-16-23(22)25-26-27/h11-16,18H,3-10,17H2,1-2H3