4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N,N-dimethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N,N-dimethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N,N-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C17H19N3O6S2 MolecularWeight: 425.47926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S2/c1-18(2)27(23,24)15-7-8-17(16(11-15)20(21)22)28(25,26)19-10-9-13-5-3-4-6-14(13)12-19/h3-8,11H,9-10,12H2,1-2H3