4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide dihydrochloride

Systemtic Name: 4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide dihydrochloride Openeye Name: 4-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide dihydrochloride CAS Name: 4-[[[2-(3-pyridinyl)-4-quinazolinyl]amino]methyl]benzenesulfonamide dihydrochloride IUPAC Name: 4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide dihydrochloride Traditional Name: 4-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide dihydrochloride Formula: C20H19Cl2N5O2S MolecularWeight: 464.36816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)S(=O)(=O)N.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)S(=O)(=O)N.Cl.Cl

InChI

InChI=1S/C20H17N5O2S.2ClH/c21-28(26,27)16-9-7-14(8-10-16)12-23-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15;;/h1-11,13H,12H2,(H2,21,26,27)(H,23,24,25);2*1H