(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4)OCC

InChI

InChI=1S/C25H32N2O6S/c1-4-32-22-14-18-10-13-26(17-20(18)15-23(22)33-5-2)25(28)19-8-9-21(31-3)24(16-19)34(29,30)27-11-6-7-12-27/h8-9,14-16H,4-7,10-13,17H2,1-3H3