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

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S/c24-20(25)19(17-14-21-18-9-5-4-8-16(17)18)22-10-12-23(13-11-22)28(26,27)15-6-2-1-3-7-15/h1-9,14,19,21H,10-13H2,(H,24,25)/t19-/m1/s1