N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: 2-(4-ketoquinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C21H24N5O4S+ MolecularWeight: 442.51136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N5O4S/c1-24-10-12-26(13-11-24)31(29,30)17-8-6-16(7-9-17)23-20(27)14-25-15-22-19-5-3-2-4-18(19)21(25)28/h2-9,15H,10-14H2,1H3,(H,23,27)/p+1