4-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethoxy]benzenesulfonamide Openeye Name: 4-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylethoxy]benzenesulfonamide CAS Name: 4-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylethoxy]benzenesulfonamide Traditional Name: 4-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]ethoxy]benzenesulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCCOC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCCOC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H25N3O4S2/c1-15(2)11-12-24-20(25)18-5-3-4-6-19(18)23-21(24)29-14-13-28-16-7-9-17(10-8-16)30(22,26)27/h3-10,15H,11-14H2,1-2H3,(H2,22,26,27)