(2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-2-(7-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-2-(7-methoxy-1H-indol-3-yl)acetate Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O5S/c1-29-18-9-5-8-16-17(14-22-19(16)18)20(21(25)26)23-10-12-24(13-11-23)30(27,28)15-6-3-2-4-7-15/h2-9,14,20,22H,10-13H2,1H3,(H,25,26)/t20-/m0/s1