(2S)-2-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(1H-indol-3-yl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2S)-2-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(1H-indol-3-yl)-2-(4-mesylpiperazin-1-ium-1-yl)acetate Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c1-23(21,22)18-8-6-17(7-9-18)14(15(19)20)12-10-16-13-5-3-2-4-11(12)13/h2-5,10,14,16H,6-9H2,1H3,(H,19,20)/t14-/m0/s1