N-butyl-3,5-dimethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2-oxazole-4-sulfonamide

Systemtic Name: N-butyl-3,5-dimethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2-oxazole-4-sulfonamide Openeye Name: N-butyl-3,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]isoxazole-4-sulfonamide CAS Name: N-butyl-3,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-isoxazolesulfonamide IUPAC Name: N-butyl-3,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1,2-oxazole-4-sulfonamide Traditional Name: N-butyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C18H22N4O4S/c1-4-5-10-22(27(24,25)17-12(2)21-26-13(17)3)11-16-19-15-9-7-6-8-14(15)18(23)20-16/h6-9H,4-5,10-11H2,1-3H3,(H,19,20,23)