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

Systemtic Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetate Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=C(NC4=CC=CC=C43)C)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=C(NC4=CC=CC=C43)C)C(=O)[O-]

InChI

InChI=1S/C23H27N3O5S/c1-3-31-17-8-10-18(11-9-17)32(29,30)26-14-12-25(13-15-26)22(23(27)28)21-16(2)24-20-7-5-4-6-19(20)21/h4-11,22,24H,3,12-15H2,1-2H3,(H,27,28)/t22-/m0/s1