ethanedioic acid; 3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1H-indole

Systemtic Name: ethanedioic acid; 3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[(4-besylpiperazino)methyl]-1H-indole; oxalic acid Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S.C2H2O4/c23-25(24,17-6-2-1-3-7-17)22-12-10-21(11-13-22)15-16-14-20-19-9-5-4-8-18(16)19;3-1(4)2(5)6/h1-9,14,20H,10-13,15H2;(H,3,4)(H,5,6)