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

Systemtic Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-quinazolin-3-ium-2-yl]methyl]thiophene-3-sulfonamide Openeye Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-quinazolin-3-ium-2-yl]methyl]thiophene-3-sulfonamide CAS Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methyl-2-quinazolin-3-iumyl]methyl]-3-thiophenesulfonamide IUPAC Name: N-[[4-[(2-fluorophenyl)methylamino]-8-methylquinazolin-3-ium-2-yl]methyl]thiophene-3-sulfonamide Traditional Name: N-[[4-[(2-fluorobenzyl)amino]-8-methyl-quinazolin-3-ium-2-yl]methyl]thiophene-3-sulfonamide Formula: C21H20FN4O2S2+ MolecularWeight: 443.537503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O2S2/c1-14-5-4-7-17-20(14)25-19(12-24-30(27,28)16-9-10-29-13-16)26-21(17)23-11-15-6-2-3-8-18(15)22/h2-10,13,24H,11-12H2,1H3,(H,23,25,26)/p+1