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

Systemtic Name: (2R)-2-(4-chloranyl-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-(4-chloro-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-2-(4-chloro-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-2-(4-chloro-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-2-(4-chloro-1H-indol-3-yl)acetate Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C(=CC=C3)Cl)C(=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C(=CC=C3)Cl)C(=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3O4S/c21-16-7-4-8-17-18(16)15(13-22-17)19(20(25)26)23-9-11-24(12-10-23)29(27,28)14-5-2-1-3-6-14/h1-8,13,19,22H,9-12H2,(H,25,26)/t19-/m1/s1