(4-azanylquinazolin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H24N4O4S/c23-21-18-7-3-4-8-19(18)24-20(25-21)15-30-22(27)16-9-11-17(12-10-16)31(28,29)26-13-5-1-2-6-14-26/h3-4,7-12H,1-2,5-6,13-15H2,(H2,23,24,25)