3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Openeye Name: 3-(8-methyl-4-oxo-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide CAS Name: 3-(8-methyl-4-oxo-3-quinazolinyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-(4-keto-8-methyl-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C23H28N5O4S+ MolecularWeight: 470.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N5O4S/c1-17-4-3-5-20-22(17)24-16-27(23(20)30)11-10-21(29)25-18-6-8-19(9-7-18)33(31,32)28-14-12-26(2)13-15-28/h3-9,16H,10-15H2,1-2H3,(H,25,29)/p+1