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

Systemtic Name: 2-(2-chloranyl-4-piperidin-1-ylsulfonyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[2-chloro-4-(1-piperidylsulfonyl)phenoxy]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[2-chloro-4-(1-piperidinylsulfonyl)phenoxy]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(2-chloro-4-piperidinosulfonyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C22H25ClN2O4S/c23-20-14-19(30(27,28)25-11-4-1-5-12-25)8-9-21(20)29-16-22(26)24-13-10-17-6-2-3-7-18(17)15-24/h2-3,6-9,14H,1,4-5,10-13,15-16H2