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

Systemtic Name: 2-(2-chloranyl-4-morpholin-4-ylsulfonyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(2-chloro-4-morpholinosulfonyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[2-chloro-4-(4-morpholinylsulfonyl)phenoxy]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(2-chloro-4-morpholinosulfonyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-19-13-18(30(26,27)24-9-11-28-12-10-24)5-6-20(19)29-15-21(25)23-8-7-16-3-1-2-4-17(16)14-23/h1-6,13H,7-12,14-15H2