2-(1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-(4-besylpiperazino)-2-(1H-indol-3-yl)acetic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CNC3=CC=CC=C32)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(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)