ethanedioic acid; 2-[4-[3-(4-propylsulfonylphenyl)isoquinolin-1-yl]piperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; 2-[4-[3-(4-propylsulfonylphenyl)isoquinolin-1-yl]piperazin-1-yl]ethanol Openeye Name: oxalic acid; 2-[4-[3-(4-propylsulfonylphenyl)-1-isoquinolyl]piperazin-1-yl]ethanol CAS Name: oxalic acid; 2-[4-[3-(4-propylsulfonylphenyl)-1-isoquinolinyl]-1-piperazinyl]ethanol IUPAC Name: oxalic acid; 2-[4-[3-(4-propylsulfonylphenyl)isoquinolin-1-yl]piperazin-1-yl]ethanol Traditional Name: oxalic acid; 2-[4-[3-(4-propylsulfonylphenyl)-1-isoquinolyl]piperazino]ethanol Formula: C26H31N3O7S MolecularWeight: 529.60524

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CCO.C(=O)(C(=O)O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H29N3O3S.C2H2O4/c1-2-17-31(29,30)21-9-7-19(8-10-21)23-18-20-5-3-4-6-22(20)24(25-23)27-13-11-26(12-14-27)15-16-28;3-1(4)2(5)6/h3-10,18,28H,2,11-17H2,1H3;(H,3,4)(H,5,6)