N-butyl-3-ethanoyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenesulfonamide

Systemtic Name: N-butyl-3-ethanoyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenesulfonamide Openeye Name: 3-acetyl-N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide CAS Name: 3-acetyl-N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-butyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide Traditional Name: 3-acetyl-N-butyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]benzenesulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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