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

Systemtic Name: (4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (4-chloro-3-pyrrolidinosulfonyl-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O5S/c1-3-31-21-13-17-9-12-26(16-19(17)14-22(21)32-4-2)24(28)18-7-8-20(25)23(15-18)33(29,30)27-10-5-6-11-27/h7-8,13-15H,3-6,9-12,16H2,1-2H3