N-tert-butyl-4-[(4S)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(4S)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzenesulfonamide Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC(C3=C(C=CC(=C3C2)OC)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2C[C@H](C3=C(C=CC(=C3C2)OC)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O7S/c1-21(2,3)22-32(28,29)13-6-7-15(16(10-13)24(26)27)23-11-14-18(30-4)8-9-19(31-5)20(14)17(25)12-23/h6-10,17,22,25H,11-12H2,1-5H3/t17-/m1/s1