N-[[4-(1-chloranylisoquinolin-3-yl)phenyl]methyl]ethanesulfonamide

Systemtic Name: N-[[4-(1-chloranylisoquinolin-3-yl)phenyl]methyl]ethanesulfonamide Openeye Name: N-[[4-(1-chloro-3-isoquinolyl)phenyl]methyl]ethanesulfonamide CAS Name: N-[[4-(1-chloro-3-isoquinolinyl)phenyl]methyl]ethanesulfonamide IUPAC Name: N-[[4-(1-chloroisoquinolin-3-yl)phenyl]methyl]ethanesulfonamide Traditional Name: N-[4-(1-chloro-3-isoquinolyl)benzyl]ethanesulfonamide Formula: C18H17ClN2O2S MolecularWeight: 360.85778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)Cl

Isomeric SMILES

CCS(=O)(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)Cl

InChI

InChI=1S/C18H17ClN2O2S/c1-2-24(22,23)20-12-13-7-9-14(10-8-13)17-11-15-5-3-4-6-16(15)18(19)21-17/h3-11,20H,2,12H2,1H3