N-[(2S)-2-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-[(2S)-2-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-ethyl]benzenesulfonamide CAS Name: N-[(2S)-2-phenyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-2-phenylethyl]benzenesulfonamide Traditional Name: N-[(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-ethyl]benzenesulfonamide Formula: C25H30N3O4S2+ MolecularWeight: 500.6534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S2/c29-33(30,21-22-10-4-1-5-11-22)28-18-16-27(17-19-28)25(23-12-6-2-7-13-23)20-26-34(31,32)24-14-8-3-9-15-24/h1-15,25-26H,16-21H2/p+1/t25-/m1/s1