4-[[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C29H33N3O8S MolecularWeight: 583.65262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C29H33N3O8S/c1-5-30(6-2)41(36,37)24-13-7-20(8-14-24)29(33)31-16-15-21-17-27(38-3)28(39-4)18-25(21)26(31)19-40-23-11-9-22(10-12-23)32(34)35/h7-14,17-18,26H,5-6,15-16,19H2,1-4H3