methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: methyl-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-keto-2-(3-mesylanilino)ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C19H21N4O4S+ MolecularWeight: 401.45944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C19H20N4O4S/c1-23(11-17-21-16-9-4-3-8-15(16)19(25)22-17)12-18(24)20-13-6-5-7-14(10-13)28(2,26)27/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,25)/p+1