N-[3-[methyl-(4-methylphenyl)sulfonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[methyl-(4-methylphenyl)sulfonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl(p-tolylsulfonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-(4-methylphenyl)sulfonylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-(4-methylphenyl)sulfonylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl(tosyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H22N4O4S/c1-14-8-10-15(11-9-14)29(27,28)24(2)13-5-12-21-20(26)18-22-17-7-4-3-6-16(17)19(25)23-18/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,26)(H,22,23,25)