5-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]sulfonyl-2-chloranyl-4-fluoranyl-benzoic acid

Systemtic Name: 5-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]sulfonyl-2-chloranyl-4-fluoranyl-benzoic acid Openeye Name: 5-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]sulfonyl-2-chloro-4-fluoro-benzoic acid CAS Name: 5-[[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]sulfonyl]-2-chloro-4-fluorobenzoic acid IUPAC Name: 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]sulfonyl-2-chloro-4-fluorobenzoic acid Traditional Name: 5-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]sulfonyl-2-chloro-4-fluoro-benzoic acid Formula: C21H21ClFN5O6S MolecularWeight: 525.937743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C(=C4)C(=O)O)Cl)F)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C(=C4)C(=O)O)Cl)F)N)OC

InChI

InChI=1S/C21H21ClFN5O6S/c1-33-16-7-12-15(10-17(16)34-2)25-21(26-19(12)24)27-3-5-28(6-4-27)35(31,32)18-8-11(20(29)30)13(22)9-14(18)23/h7-10H,3-6H2,1-2H3,(H,29,30)(H2,24,25,26)