2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(R)-phenyl(2-thienyl)methyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(R)-phenyl(2-thienyl)methyl]acetamide Formula: C25H28N3O4S2+ MolecularWeight: 498.63752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H](C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C25H27N3O4S2/c1-19(29)20-9-11-22(12-10-20)34(31,32)28-15-13-27(14-16-28)18-24(30)26-25(23-8-5-17-33-23)21-6-3-2-4-7-21/h2-12,17,25H,13-16,18H2,1H3,(H,26,30)/p+1/t25-/m1/s1