4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-tosyl-piperazine-1-carboxamide Formula: C22H25N5O5S MolecularWeight: 471.5294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C22H25N5O5S/c1-15-4-6-16(7-5-15)33(29,30)25-22(28)27-10-8-26(9-11-27)21-17-12-19(31-2)20(32-3)13-18(17)23-14-24-21/h4-7,12-14H,8-11H2,1-3H3,(H,25,28)