ethanedioic acid; 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole

Systemtic Name: ethanedioic acid; 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazino]methyl]-1H-indole; oxalic acid Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20FN3O2S.C2H2O4/c20-16-5-7-17(8-6-16)26(24,25)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19;3-1(4)2(5)6/h1-8,13,21H,9-12,14H2;(H,3,4)(H,5,6)