N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]benzenesulfonamide Traditional Name: N-homoveratryl-4-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]benzenesulfonamide Formula: C25H25N3O5S2 MolecularWeight: 511.6131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)CSC3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)CSC3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C25H25N3O5S2/c1-32-22-12-9-17(15-23(22)33-2)13-14-26-35(30,31)19-10-7-18(8-11-19)16-34-25-27-21-6-4-3-5-20(21)24(29)28-25/h3-12,15,26H,13-14,16H2,1-2H3,(H,27,28,29)