N-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(6-chloro-4-oxo-quinazolin-3-yl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(6-chloro-4-oxo-3-quinazolinyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(6-chloro-4-oxoquinazolin-3-yl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(6-chloro-4-keto-quinazolin-3-yl)benzamide Formula: C21H20ClN5O5S MolecularWeight: 489.932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3C=NC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3C=NC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O5S/c1-14(28)25-7-9-26(10-8-25)33(31,32)17-4-2-3-15(11-17)20(29)24-27-13-23-19-6-5-16(22)12-18(19)21(27)30/h2-6,11-13H,7-10H2,1H3,(H,24,29)