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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-2-nitro-benzenesulfonamide Formula: C21H19N3O6S2 MolecularWeight: 473.52206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6S2/c25-24(26)20-7-3-4-8-21(20)31(27,28)22-18-9-11-19(12-10-18)32(29,30)23-14-13-16-5-1-2-6-17(16)15-23/h1-12,22H,13-15H2