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

Systemtic Name: ethanedioic acid; 3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole Openeye Name: oxalic acid; 3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole CAS Name: oxalic acid; 3-[(4-propylsulfonyl-1-piperazinyl)methyl]-1H-indole IUPAC Name: oxalic acid; 3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole Traditional Name: oxalic acid; 3-[(4-propylsulfonylpiperazino)methyl]-1H-indole Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S.C2H2O4/c1-2-11-22(20,21)19-9-7-18(8-10-19)13-14-12-17-16-6-4-3-5-15(14)16;3-1(4)2(5)6/h3-6,12,17H,2,7-11,13H2,1H3;(H,3,4)(H,5,6)