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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: N-(benzenesulfonyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-(benzenesulfonyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-(benzenesulfonyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-besyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-30-18-12-16-17(13-19(18)31-2)22-14-23-20(16)25-8-10-26(11-9-25)21(27)24-32(28,29)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,24,27)