N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-4-(4-oxo-1H-quinazolin-2-yl)butanamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-4-(4-oxo-1H-quinazolin-2-yl)butanamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-4-(4-oxo-1H-quinazolin-2-yl)butanamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-4-(4-keto-1H-quinazolin-2-yl)butyramide Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H18ClN3O4S/c1-28(26,27)12-9-10-14(20)16(11-12)22-18(24)8-4-7-17-21-15-6-3-2-5-13(15)19(25)23-17/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,22,24)(H,21,23,25)