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

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(2-furylmethyl)-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(2-furanylmethyl)-2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(2-furfuryl)-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H25N4O5S2+ MolecularWeight: 489.5877

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H24N4O5S2/c27-20(16-25-9-11-26(12-10-25)33(29,30)21-8-4-14-32-21)24-19-7-2-1-6-18(19)22(28)23-15-17-5-3-13-31-17/h1-8,13-14H,9-12,15-16H2,(H,23,28)(H,24,27)/p+1