N-[(1R,2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide

Systemtic Name: N-[(1R,2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Openeye Name: N-[(1R,2R)-2-(4-acetylpiperazin-1-ium-1-yl)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide CAS Name: N-[(1R,2R)-2-(4-acetyl-1-piperazin-1-iumyl)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide IUPAC Name: N-[(1R,2R)-2-(4-acetylpiperazin-1-ium-1-yl)-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide Traditional Name: N-[(1R,2R)-2-(4-acetylpiperazin-1-ium-1-yl)acenaphthen-1-yl]benzenesulfonamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H25N3O3S/c1-17(28)26-13-15-27(16-14-26)24-21-12-6-8-18-7-5-11-20(22(18)21)23(24)25-31(29,30)19-9-3-2-4-10-19/h2-12,23-25H,13-16H2,1H3/p+1/t23-,24-/m1/s1