(4-azanylquinazolin-2-yl)methyl (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate Openeye Name: (4-aminoquinazolin-2-yl)methyl (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-2-propenoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]acrylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)OCC2=NC3=CC=CC=C3C(=N2)N)OC

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)OC

InChI

InChI=1S/C20H20N4O5S/c1-22-30(26,27)17-11-13(7-9-16(17)28-2)8-10-19(25)29-12-18-23-15-6-4-3-5-14(15)20(21)24-18/h3-11,22H,12H2,1-2H3,(H2,21,23,24)/b10-8+