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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)N3CCC4=CC=CC=C4C3)Br

Isomeric SMILES

CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)N3CCC4=CC=CC=C4C3)Br

InChI

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