4-methyl-N-[3-oxidanylidene-3-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-oxidanylidene-3-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-oxo-3-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]propyl]benzenesulfonamide CAS Name: 4-methyl-N-[3-oxo-3-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-oxo-3-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]propyl]-4-methyl-benzenesulfonamide Formula: C23H28N5O4S+ MolecularWeight: 470.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H27N5O4S/c1-17-6-8-18(9-7-17)33(31,32)24-11-10-22(29)28-14-12-27(13-15-28)16-21-25-20-5-3-2-4-19(20)23(30)26-21/h2-9,24H,10-16H2,1H3,(H,25,26,30)/p+1