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

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrolidinosulfonylphenyl)methanone Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-3-30-22-15-18-10-13-25(17-20(18)16-23(22)31-4-2)24(27)19-8-7-9-21(14-19)32(28,29)26-11-5-6-12-26/h7-9,14-16H,3-6,10-13,17H2,1-2H3