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

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]ethanamide Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(2-furyl)ethyl]acetamide CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-(2-furanyl)ethyl]acetamide IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide Traditional Name: N-[(1R)-1-(2-furyl)ethyl]-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C)C3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H](C)C3=CC=CO3

InChI

InChI=1S/C20H27N3O5S/c1-3-27-17-6-8-18(9-7-17)29(25,26)23-12-10-22(11-13-23)15-20(24)21-16(2)19-5-4-14-28-19/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1