dimethyl-[2-[2-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[2-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl]azanium Openeye Name: dimethyl-[2-[2-[2-(4-methylsulfonylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: dimethyl-[2-[2-[[2-(4-methylsulfonylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[2-[2-(4-methylsulfonylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]azanium Traditional Name: 2-[4-keto-2-[[2-keto-2-(4-mesylanilino)ethyl]thio]quinazolin-3-yl]ethyl-dimethyl-ammonium Formula: C21H25N4O4S2+ MolecularWeight: 461.5776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+](C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H24N4O4S2/c1-24(2)12-13-25-20(27)17-6-4-5-7-18(17)23-21(25)30-14-19(26)22-15-8-10-16(11-9-15)31(3,28)29/h4-11H,12-14H2,1-3H3,(H,22,26)/p+1