(4-azanylquinazolin-2-yl)methyl 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(tert-butylsulfamoyl)-4-chloro-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-chlorobenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-(tert-butylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-chloro-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H21ClN4O4S MolecularWeight: 448.92314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4S/c1-20(2,3)25-30(27,28)16-10-12(8-9-14(16)21)19(26)29-11-17-23-15-7-5-4-6-13(15)18(22)24-17/h4-10,25H,11H2,1-3H3,(H2,22,23,24)