N-(furan-2-ylmethyl)-4-methyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-4-methyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-methyl-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-methyl-N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-4-methyl-benzenesulfonamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N4O4S/c1-19-7-9-21(10-8-19)32(29,30)27(17-20-5-4-16-31-20)18-23(28)26-14-12-25(13-15-26)22-6-2-3-11-24-22/h2-11,16H,12-15,17-18H2,1H3/p+1