2-[4-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]quinazolin-2-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]quinazolin-2-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-(5-ethylsulfonyl-2-hydroxy-anilino)quinazolin-2-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-(5-ethylsulfonyl-2-hydroxyanilino)-2-quinazolinyl]ethyl-dimethylammonium IUPAC Name: 2-[4-(5-ethylsulfonyl-2-hydroxyanilino)quinazolin-2-yl]ethyl-dimethylazanium Traditional Name: 2-[4-(5-esyl-2-hydroxy-anilino)quinazolin-2-yl]ethyl-dimethyl-ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=NC(=NC3=CC=CC=C32)CC[NH+](C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC2=NC(=NC3=CC=CC=C32)CC[NH+](C)C

InChI

InChI=1S/C20H24N4O3S/c1-4-28(26,27)14-9-10-18(25)17(13-14)22-20-15-7-5-6-8-16(15)21-19(23-20)11-12-24(2)3/h5-10,13,25H,4,11-12H2,1-3H3,(H,21,22,23)/p+1