(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C24H20ClN3O5S MolecularWeight: 497.9507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3O5S/c1-15-3-10-19(11-4-15)34(31,32)28(2)18-8-5-16(6-9-18)24(30)33-14-22-26-21-13-17(25)7-12-20(21)23(29)27-22/h3-13H,14H2,1-2H3,(H,26,27,29)