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

Systemtic Name: N-(4-methylphenyl)-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-(p-tolyl)acetamide CAS Name: 2-[4-[[3-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[3-(besylmethyl)-2-furoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C25H28N3O5S+ MolecularWeight: 482.57192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S/c1-19-7-9-21(10-8-19)26-23(29)17-27-12-14-28(15-13-27)25(30)24-20(11-16-33-24)18-34(31,32)22-5-3-2-4-6-22/h2-11,16H,12-15,17-18H2,1H3,(H,26,29)/p+1