N-(furan-2-ylmethyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(2-furylmethyl)-2-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(2-furanylmethyl)-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(2-furfuryl)-2-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C25H29N4O5S+ MolecularWeight: 497.58656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H28N4O5S/c1-19-8-10-21(11-9-19)35(32,33)29-14-12-28(13-15-29)18-24(30)27-23-7-3-2-6-22(23)25(31)26-17-20-5-4-16-34-20/h2-11,16H,12-15,17-18H2,1H3,(H,26,31)(H,27,30)/p+1