(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(diethylsulfamoyl)phenyl]-2-propenoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(diethylsulfamoyl)phenyl]acrylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O5S/c1-3-26(4-2)32(29,30)17-9-5-15(6-10-17)7-12-21(27)31-14-20-24-19-13-16(23)8-11-18(19)22(28)25-20/h5-13H,3-4,14H2,1-2H3,(H,24,25,28)/b12-7+