4-butoxy-N-[3-(6-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[3-(6-chloranyl-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide CAS Name: 4-butoxy-N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[3-(6-chloro-3,4-dihydroisoquinolin-1-yl)phenyl]benzenesulfonamide Formula: C25H25ClN2O3S MolecularWeight: 468.9956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NCCC4=C3C=CC(=C4)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NCCC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C25H25ClN2O3S/c1-2-3-15-31-22-8-10-23(11-9-22)32(29,30)28-21-6-4-5-19(17-21)25-24-12-7-20(26)16-18(24)13-14-27-25/h4-12,16-17,28H,2-3,13-15H2,1H3