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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-methylsulfonylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-mesylphenyl)piperazine-1-carboxamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)OC

InChI

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