(2R)-1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-ethanone

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-ethanone Openeye Name: (2R)-1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-ethanone CAS Name: (2R)-1-(1H-indol-3-yl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)-2-phenylethanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-phenylethanone Traditional Name: (2R)-1-(1H-indol-3-yl)-2-(4-mesylpiperazin-1-ium-1-yl)-2-phenyl-ethanone Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3S/c1-28(26,27)24-13-11-23(12-14-24)20(16-7-3-2-4-8-16)21(25)18-15-22-19-10-6-5-9-17(18)19/h2-10,15,20,22H,11-14H2,1H3/p+1/t20-/m1/s1