1-[5-bromanyl-7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one

Systemtic Name: 1-[5-bromanyl-7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: 1-[5-bromo-7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)indolin-1-yl]propan-1-one CAS Name: 1-[5-bromo-7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: 1-[5-bromo-7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: 1-[5-bromo-7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)indolin-1-yl]propan-1-one Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC4=CC=CC=C4C3)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC4=CC=CC=C4C3)Br

InChI

InChI=1S/C20H21BrN2O3S/c1-2-19(24)23-10-8-15-11-17(21)12-18(20(15)23)27(25,26)22-9-7-14-5-3-4-6-16(14)13-22/h3-6,11-12H,2,7-10,13H2,1H3