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

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

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O5S/c30-24(27-23-11-5-4-10-22(23)25(31)26-17-21-9-6-16-34-21)18-28-12-14-29(15-13-28)35(32,33)19-20-7-2-1-3-8-20/h1-11,16H,12-15,17-19H2,(H,26,31)(H,27,30)/p+1