N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C22H28N5O4S+ MolecularWeight: 458.55382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C22H27N5O4S/c1-25-11-13-26(14-12-25)19-7-5-18(6-8-19)24-22(29)17-3-2-4-20(15-17)32(30,31)27-10-9-23-21(28)16-27/h2-8,15H,9-14,16H2,1H3,(H,23,28)(H,24,29)/p+1