(4-azanylquinazolin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C24H21N3O5S/c1-15-11-12-16(2)21(13-15)33(29,30)32-20-10-6-4-8-18(20)24(28)31-14-22-26-19-9-5-3-7-17(19)23(25)27-22/h3-13H,14H2,1-2H3,(H2,25,26,27)