N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)methanesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-(3-nitrophenyl)methanesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-(3-nitrophenyl)methanesulfonamide Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCC2=CC=CC=C2C1)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-27(25,26)20(16-7-4-8-17(11-16)21(23)24)13-18(22)19-10-9-14-5-2-3-6-15(14)12-19/h2-8,11H,9-10,12-13H2,1H3