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

Systemtic Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-methoxy-benzenesulfonamide CAS Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-methoxybenzenesulfonamide Traditional Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-methoxy-benzenesulfonamide Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H28N2O3S/c1-30-24-12-14-25(15-13-24)31(28,29)26-17-4-5-20-8-10-23(11-9-20)27-18-16-21-6-2-3-7-22(21)19-27/h2-3,6-15,26H,4-5,16-19H2,1H3