(2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-tosylpiperazin-1-ium-1-yl)acetate Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CNC4=C3C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=CNC4=C3C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C22H25N3O5S/c1-15-3-6-17(7-4-15)31(28,29)25-11-9-24(10-12-25)21(22(26)27)19-14-23-20-8-5-16(30-2)13-18(19)20/h3-8,13-14,21,23H,9-12H2,1-2H3,(H,26,27)/t21-/m0/s1