(4-azanylquinazolin-2-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C17H14ClN3O4S/c1-26(23,24)10-6-7-13(18)12(8-10)17(22)25-9-15-20-14-5-3-2-4-11(14)16(19)21-15/h2-8H,9H2,1H3,(H2,19,20,21)