2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(2-chloro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(2-chloro-4-pyrrolidinosulfonyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C21H23ClN2O4S/c22-19-13-18(29(26,27)24-10-3-4-11-24)7-8-20(19)28-15-21(25)23-12-9-16-5-1-2-6-17(16)14-23/h1-2,5-8,13H,3-4,9-12,14-15H2