N-butyl-4-ethanoyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenesulfonamide

Systemtic Name: N-butyl-4-ethanoyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenesulfonamide Openeye Name: 4-acetyl-N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide CAS Name: 4-acetyl-N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide Traditional Name: 4-acetyl-N-butyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]benzenesulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-3-4-13-24(29(27,28)17-11-9-16(10-12-17)15(2)25)14-20-22-19-8-6-5-7-18(19)21(26)23-20/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,26)