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

Systemtic Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4-nitro-benzenesulfonamide Formula: C24H25N3O4S MolecularWeight: 451.538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC=C(C=C3)CCCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC=C(C=C3)CCCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O4S/c28-27(29)23-11-13-24(14-12-23)32(30,31)25-16-3-4-19-7-9-22(10-8-19)26-17-15-20-5-1-2-6-21(20)18-26/h1-2,5-14,25H,3-4,15-18H2