N-[3-[(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]propane-1-sulfonamide

Systemtic Name: N-[3-[(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]propane-1-sulfonamide Openeye Name: N-[3-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propane-1-sulfonamide CAS Name: N-[3-[(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]phenyl]-1-propanesulfonamide IUPAC Name: N-[3-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propane-1-sulfonamide Traditional Name: N-[3-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propane-1-sulfonamide Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)O

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)O

InChI

InChI=1S/C19H22N2O4S/c1-2-10-26(24,25)20-17-5-3-4-15(11-17)19(23)21-9-8-14-6-7-18(22)12-16(14)13-21/h3-7,11-12,20,22H,2,8-10,13H2,1H3