4-chloranyl-N-[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-phenyl-ethyl]-4-chloro-benzenesulfonamide CAS Name: N-[(2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-phenylethyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-phenylethyl]-4-chlorobenzenesulfonamide Traditional Name: N-[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-phenyl-ethyl]-4-chloro-benzenesulfonamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3O3S/c1-16(25)23-11-13-24(14-12-23)20(17-5-3-2-4-6-17)15-22-28(26,27)19-9-7-18(21)8-10-19/h2-10,20,22H,11-15H2,1H3/p+1/t20-/m1/s1