5-bromanyl-2-chloranyl-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide CAS Name: 5-bromo-2-chloro-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Formula: C21H24BrClN2O5S MolecularWeight: 531.84766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCCNC(=O)C3=C(C=CC(=C3)Br)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCCNC(=O)C3=C(C=CC(=C3)Br)Cl)OC

InChI

InChI=1S/C21H24BrClN2O5S/c1-29-19-10-14-6-8-25(13-15(14)11-20(19)30-2)31(27,28)9-3-7-24-21(26)17-12-16(22)4-5-18(17)23/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,24,26)