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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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