N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-quinazolin-3-ium-2-yl]methyl]-5-methyl-thiophene-2-sulfonamide

Systemtic Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-quinazolin-3-ium-2-yl]methyl]-5-methyl-thiophene-2-sulfonamide Openeye Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-quinazolin-3-ium-2-yl]methyl]-5-methyl-thiophene-2-sulfonamide CAS Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-2-quinazolin-3-iumyl]methyl]-5-methyl-2-thiophenesulfonamide IUPAC Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-3-ium-2-yl]methyl]-5-methylthiophene-2-sulfonamide Traditional Name: N-[[4-[(2-fluorobenzyl)amino]-8-methyl-quinazolin-3-ium-2-yl]methyl]-5-methyl-thiophene-2-sulfonamide Formula: C22H22FN4O2S2+ MolecularWeight: 457.564083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C([NH+]=C2NCC3=CC=CC=C3F)CNS(=O)(=O)C4=CC=C(S4)C

Isomeric SMILES

CC1=CC=CC2=C1N=C([NH+]=C2NCC3=CC=CC=C3F)CNS(=O)(=O)C4=CC=C(S4)C

InChI

InChI=1S/C22H21FN4O2S2/c1-14-6-5-8-17-21(14)26-19(13-25-31(28,29)20-11-10-15(2)30-20)27-22(17)24-12-16-7-3-4-9-18(16)23/h3-11,25H,12-13H2,1-2H3,(H,24,26,27)/p+1