2-(4-chloranylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methyl-propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methyl-propanamide Openeye Name: 2-(4-chlorophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methylpropanamide IUPAC Name: 2-(4-chlorophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methylpropanamide Traditional Name: 2-(4-chlorophenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methyl-propionamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCCS(=O)(=O)N1CCC2=CC=CC=C2C1)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NCCCS(=O)(=O)N1CCC2=CC=CC=C2C1)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-22(2,29-20-10-8-19(23)9-11-20)21(26)24-13-5-15-30(27,28)25-14-12-17-6-3-4-7-18(17)16-25/h3-4,6-11H,5,12-16H2,1-2H3,(H,24,26)