N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-(5-esyl-2-hydroxy-phenyl)-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C

InChI

InChI=1S/C21H23N3O5S/c1-3-30(28,29)15-9-10-18(25)17(12-15)23-19(26)8-5-11-24-13-22-20-14(2)6-4-7-16(20)21(24)27/h4,6-7,9-10,12-13,25H,3,5,8,11H2,1-2H3,(H,23,26)