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

Systemtic Name: 4-bromanyl-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Openeye Name: 4-bromo-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide CAS Name: 4-bromo-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide IUPAC Name: 4-bromo-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Traditional Name: 4-bromo-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5S/c1-28-19-12-16-8-10-24(14-17(16)13-20(19)29-2)30(26,27)11-3-9-23-21(25)15-4-6-18(22)7-5-15/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,23,25)