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

Systemtic Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-2-(5-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetate Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CNC4=C3C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CCOC1=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/C23H27N3O6S/c1-3-32-16-4-7-18(8-5-16)33(29,30)26-12-10-25(11-13-26)22(23(27)28)20-15-24-21-9-6-17(31-2)14-19(20)21/h4-9,14-15,22,24H,3,10-13H2,1-2H3,(H,27,28)/t22-/m0/s1