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

Systemtic Name: N-(phenylmethyl)-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-benzyl-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C24H27N4O4S2+ MolecularWeight: 499.62558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H26N4O4S2/c29-22(18-27-12-14-28(15-13-27)34(31,32)23-11-6-16-33-23)26-21-10-5-4-9-20(21)24(30)25-17-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2,(H,25,30)(H,26,29)/p+1