[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C29H31N3O8S MolecularWeight: 581.63674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)COC5=CC=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)COC5=CC=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C29H31N3O8S/c1-38-27-17-21-13-16-31(29(33)20-5-11-24(12-6-20)41(36,37)30-14-3-4-15-30)26(25(21)18-28(27)39-2)19-40-23-9-7-22(8-10-23)32(34)35/h5-12,17-18,26H,3-4,13-16,19H2,1-2H3