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

Systemtic Name: 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]butanamide Openeye Name: 4-(8-methyl-4-oxo-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]butanamide CAS Name: 4-(8-methyl-4-oxo-3-quinazolinyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]butanamide IUPAC Name: 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]butanamide Traditional Name: 4-(4-keto-8-methyl-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]butyramide Formula: C24H30N5O4S+ MolecularWeight: 484.5911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O4S/c1-18-5-3-6-21-23(18)25-17-28(24(21)31)12-4-7-22(30)26-19-8-10-20(11-9-19)34(32,33)29-15-13-27(2)14-16-29/h3,5-6,8-11,17H,4,7,12-16H2,1-2H3,(H,26,30)/p+1