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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(benzylsulfamoyl)-4-methyl-benzoate CAS Name: 4-methyl-3-[(phenylmethyl)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-(benzylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(benzylsulfamoyl)-4-methyl-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O5S/c1-16-11-12-18(13-21(16)33(30,31)24-14-17-7-3-2-4-8-17)23(29)32-15-27-22(28)19-9-5-6-10-20(19)25-26-27/h2-13,24H,14-15H2,1H3