N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-4-nitro-benzenesulfonamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C22H22N4O4S/c27-26(28)20-7-9-21(10-8-20)31(29,30)24-15-22(18-6-3-12-23-14-18)25-13-11-17-4-1-2-5-19(17)16-25/h1-10,12,14,22,24H,11,13,15-16H2/t22-/m0/s1