(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butyric acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O5S/c1-14-5-3-6-17-20(14)23-18(24-21(17)27)13-30-19(26)7-4-12-25(2)31(28,29)16-10-8-15(22)9-11-16/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H,23,24,27)