(8-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone

Systemtic Name: (8-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone Openeye Name: (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-isopropoxy-5-methylsulfonyl-phenyl)methanone CAS Name: (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone IUPAC Name: (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone Traditional Name: (8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-isopropoxy-5-mesyl-phenyl)methanone Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC3=C(C2)C(=CC=C3)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC3=C(C2)C(=CC=C3)Cl

InChI

InChI=1S/C20H22ClNO4S/c1-13(2)26-19-8-7-15(27(3,24)25)11-16(19)20(23)22-10-9-14-5-4-6-18(21)17(14)12-22/h4-8,11,13H,9-10,12H2,1-3H3