N-methyl-3-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-methyl-3-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 3-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]-N-methyl-benzamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4S/c1-21-20(26)16-6-5-7-17(14-16)22-19(25)15-23-10-12-24(13-11-23)29(27,28)18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3,(H,21,26)(H,22,25)/p+1