N,N-dimethyl-3-[[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenesulfonamide Traditional Name: 3-[[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C23H22N4O3S2/c1-26(2)32(29,30)19-9-5-7-17(13-19)16-31-23-25-21-11-4-3-10-20(21)22(28)27(23)15-18-8-6-12-24-14-18/h3-14H,15-16H2,1-2H3