2-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5-nitro-benzenesulfonamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5-nitro-benzenesulfonamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5-nitrobenzenesulfonamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5-nitro-benzenesulfonamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-18(2)25(23,24)17-11-15(20(21)22)7-8-16(17)19-10-9-13-5-3-4-6-14(13)12-19/h3-8,11H,9-10,12H2,1-2H3