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

Systemtic Name: ethanedioic acid; 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole Openeye Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole; oxalic acid CAS Name: 3-[(4-methylsulfonyl-1-piperazinyl)methyl]-1H-indole; oxalic acid IUPAC Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole; oxalic acid Traditional Name: 3-[(4-mesylpiperazino)methyl]-1H-indole; oxalic acid Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S.C2H2O4/c1-20(18,19)17-8-6-16(7-9-17)11-12-10-15-14-5-3-2-4-13(12)14;3-1(4)2(5)6/h2-5,10,15H,6-9,11H2,1H3;(H,3,4)(H,5,6)