2-[[6,8-bis(bromanyl)-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfonyl]benzoic acid

Systemtic Name: 2-[[6,8-bis(bromanyl)-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfonyl]benzoic acid Openeye Name: 2-[[6,8-dibromo-3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]methylsulfonyl]benzoic acid CAS Name: 2-[[6,8-dibromo-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]methylsulfonyl]benzoic acid IUPAC Name: 2-[[6,8-dibromo-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]methylsulfonyl]benzoic acid Traditional Name: 2-[[6,8-dibromo-4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]methylsulfonyl]benzoic acid Formula: C23H16Br2N2O6S MolecularWeight: 608.25594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NC3=C(C=C(C=C3C2=O)Br)Br)CS(=O)(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2C(=NC3=C(C=C(C=C3C2=O)Br)Br)CS(=O)(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H16Br2N2O6S/c1-33-18-8-4-3-7-17(18)27-20(26-21-15(22(27)28)10-13(24)11-16(21)25)12-34(31,32)19-9-5-2-6-14(19)23(29)30/h2-11H,12H2,1H3,(H,29,30)