(2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(6-benzyloxy-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(6-benzoxy-1H-indol-3-yl)-2-(4-mesylpiperazin-1-ium-1-yl)acetate Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H25N3O5S/c1-31(28,29)25-11-9-24(10-12-25)21(22(26)27)19-14-23-20-13-17(7-8-18(19)20)30-15-16-5-3-2-4-6-16/h2-8,13-14,21,23H,9-12,15H2,1H3,(H,26,27)/t21-/m0/s1