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

Systemtic Name: (4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (4-chloro-3-pyrrolidinosulfonyl-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C22H25ClN2O5S/c1-29-19-11-15-7-10-24(14-17(15)12-20(19)30-2)22(26)16-5-6-18(23)21(13-16)31(27,28)25-8-3-4-9-25/h5-6,11-13H,3-4,7-10,14H2,1-2H3