(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[butyl(phenyl)sulfamoyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[butyl(phenyl)sulfamoyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[butyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[butyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H24N4O5S/c1-2-3-16-29(20-11-5-4-6-12-20)35(32,33)21-13-9-10-19(17-21)25(31)34-18-28-24(30)22-14-7-8-15-23(22)26-27-28/h4-15,17H,2-3,16,18H2,1H3