3-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1-acetyl-5-bromo-indolin-7-yl)sulfonyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1-acetyl-5-bromo-indolin-7-yl)sulfonyl-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C21H24BrN5O4S MolecularWeight: 522.41536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=NC=CC=N4)Br

InChI

InChI=1S/C21H24BrN5O4S/c1-15(28)27-7-3-16-13-17(22)14-18(20(16)27)32(30,31)12-4-19(29)25-8-10-26(11-9-25)21-23-5-2-6-24-21/h2,5-6,13-14H,3-4,7-12H2,1H3