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

Systemtic Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-3-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)23-8-3-9-24(17-23)32(30,31)25-15-4-5-19-10-12-22(13-11-19)26-16-14-20-6-1-2-7-21(20)18-26/h1-3,6-13,17,25H,4-5,14-16,18H2