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

Systemtic Name: 4-bromanyl-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Openeye Name: 4-bromo-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide CAS Name: 4-bromo-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide IUPAC Name: 4-bromo-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Traditional Name: 4-bromo-N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]benzamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=C(C=C3)Br)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=C(C=C3)Br)C=C1

InChI

InChI=1S/C20H23BrN2O4S/c1-27-19-8-5-17-14-23(11-9-16(17)13-19)28(25,26)12-2-10-22-20(24)15-3-6-18(21)7-4-15/h3-8,13H,2,9-12,14H2,1H3,(H,22,24)