4-[2,5-dimethyl-3-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoyl]pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H19N5O4S/c1-13-11-18(14(2)26(13)15-7-9-16(10-8-15)31(22,29)30)20(27)12-25-21(28)17-5-3-4-6-19(17)23-24-25/h3-11H,12H2,1-2H3,(H2,22,29,30)