N-[[4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]isoquinolin-3-yl]phenyl]methyl]ethanesulfonamide

Systemtic Name: N-[[4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]isoquinolin-3-yl]phenyl]methyl]ethanesulfonamide Openeye Name: N-[[4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-isoquinolyl]phenyl]methyl]ethanesulfonamide CAS Name: N-[[4-[1-[4-(2-hydroxyethyl)-1-piperazinyl]-3-isoquinolinyl]phenyl]methyl]ethanesulfonamide IUPAC Name: N-[[4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]isoquinolin-3-yl]phenyl]methyl]ethanesulfonamide Traditional Name: N-[4-[1-[4-(2-hydroxyethyl)piperazino]-3-isoquinolyl]benzyl]ethanesulfonamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CCO

Isomeric SMILES

CCS(=O)(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CCO

InChI

InChI=1S/C24H30N4O3S/c1-2-32(30,31)25-18-19-7-9-20(10-8-19)23-17-21-5-3-4-6-22(21)24(26-23)28-13-11-27(12-14-28)15-16-29/h3-10,17,25,29H,2,11-16,18H2,1H3