N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C25H28N2O4S/c1-30-24-12-11-23(17-25(24)31-2)32(28,29)26-15-13-19-7-9-22(10-8-19)27-16-14-20-5-3-4-6-21(20)18-27/h3-12,17,26H,13-16,18H2,1-2H3