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

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylmorpholine Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-22(24)19-13-17(28(25,26)21-9-11-27-12-10-21)5-6-18(19)20-8-7-15-3-1-2-4-16(15)14-20/h1-6,13H,7-12,14H2