(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H22ClN3O6S MolecularWeight: 491.94458

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O6S/c23-16-4-7-18-19(13-16)24-20(25-22(18)28)14-32-21(27)8-3-15-1-5-17(6-2-15)33(29,30)26-9-11-31-12-10-26/h1-2,4-7,13H,3,8-12,14H2,(H,24,25,28)