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

Systemtic Name: ethanedioic acid; 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indole Openeye Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indole; oxalic acid CAS Name: 3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-1H-indole; oxalic acid IUPAC Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indole; oxalic acid Traditional Name: 3-[(4-esylpiperazino)methyl]-1H-indole; oxalic acid Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CNC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CNC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21N3O2S.C2H2O4/c1-2-21(19,20)18-9-7-17(8-10-18)12-13-11-16-15-6-4-3-5-14(13)15;3-1(4)2(5)6/h3-6,11,16H,2,7-10,12H2,1H3;(H,3,4)(H,5,6)