N-phenyl-2-[4-[3-(phenylsulfonylmethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-[3-(phenylsulfonylmethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[3-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[3-(besylmethyl)-2-furoyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C24H26N3O5S+ MolecularWeight: 468.54534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O5S/c28-22(25-20-7-3-1-4-8-20)17-26-12-14-27(15-13-26)24(29)23-19(11-16-32-23)18-33(30,31)21-9-5-2-6-10-21/h1-11,16H,12-15,17-18H2,(H,25,28)/p+1