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

Systemtic Name: N-butyl-2,5-dimethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenesulfonamide Openeye Name: N-butyl-2,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide CAS Name: N-butyl-2,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide IUPAC Name: N-butyl-2,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide Traditional Name: N-butyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-2,5-dimethyl-benzenesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-4-5-12-24(28(26,27)19-13-15(2)10-11-16(19)3)14-20-22-18-9-7-6-8-17(18)21(25)23-20/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23,25)