ethanedioic acid; N-ethyl-4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]isoquinolin-3-yl]benzenesulfonamide

Systemtic Name: ethanedioic acid; N-ethyl-4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]isoquinolin-3-yl]benzenesulfonamide Openeye Name: N-ethyl-4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-isoquinolyl]benzenesulfonamide; oxalic acid CAS Name: N-ethyl-4-[1-[4-(2-hydroxyethyl)-1-piperazinyl]-3-isoquinolinyl]benzenesulfonamide; oxalic acid IUPAC Name: N-ethyl-4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]isoquinolin-3-yl]benzenesulfonamide; oxalic acid Traditional Name: N-ethyl-4-[1-[4-(2-hydroxyethyl)piperazino]-3-isoquinolyl]benzenesulfonamide; oxalic acid Formula: C25H30N4O7S MolecularWeight: 530.5933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNS(=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/C23H28N4O3S.C2H2O4/c1-2-24-31(29,30)20-9-7-18(8-10-20)22-17-19-5-3-4-6-21(19)23(25-22)27-13-11-26(12-14-27)15-16-28;3-1(4)2(5)6/h3-10,17,24,28H,2,11-16H2,1H3;(H,3,4)(H,5,6)