[4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]quinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]quinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-(2-chloro-5-morpholinosulfonyl-anilino)quinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-(2-chloro-5-morpholin-4-ylsulfonylanilino)quinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-(2-chloro-5-morpholinosulfonyl-anilino)quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C21H25ClN5O3S+ MolecularWeight: 462.9729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H24ClN5O3S/c1-26(2)14-20-23-18-6-4-3-5-16(18)21(25-20)24-19-13-15(7-8-17(19)22)31(28,29)27-9-11-30-12-10-27/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,25)/p+1