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

Systemtic Name: N-(2-methoxyphenyl)-4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(2-methoxyphenyl)-4-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(2-methoxyphenyl)-4-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(2-methoxyphenyl)-4-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C24H27N4O5S2+ MolecularWeight: 515.62498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H26N4O5S2/c1-33-21-6-3-2-5-20(21)26-24(30)18-8-10-19(11-9-18)25-22(29)17-27-12-14-28(15-13-27)35(31,32)23-7-4-16-34-23/h2-11,16H,12-15,17H2,1H3,(H,25,29)(H,26,30)/p+1