2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(2-furyl)ethyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-(2-furanyl)ethyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(2-furyl)ethyl]acetamide Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C1=CC=CO1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C20H25N3O5S/c1-15(19-4-3-13-28-19)21-20(25)14-22-9-11-23(12-10-22)29(26,27)18-7-5-17(6-8-18)16(2)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,21,25)/p+1/t15-/m1/s1