N-methyl-4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-methyl-4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-methyl-4-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-methyl-4-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-methyl-4-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-methyl-4-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C18H23N4O4S2+ MolecularWeight: 423.52962

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N4O4S2/c1-19-18(24)14-4-6-15(7-5-14)20-16(23)13-21-8-10-22(11-9-21)28(25,26)17-3-2-12-27-17/h2-7,12H,8-11,13H2,1H3,(H,19,24)(H,20,23)/p+1