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

Systemtic Name: N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-methyl-N-[4-(methylcarbamoyl)benzyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28N4O4S/c1-23-21(27)18-9-7-17(8-10-18)16-25(3)22(28)19-5-4-6-20(15-19)31(29,30)26-13-11-24(2)12-14-26/h4-10,15H,11-14,16H2,1-3H3,(H,23,27)/p+1