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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

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