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

Systemtic Name: 1-[5-bromanyl-7-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: 1-[5-bromo-7-(4-cyclohexylpiperazin-1-yl)sulfonyl-indolin-1-yl]propan-1-one CAS Name: 1-[5-bromo-7-[(4-cyclohexyl-1-piperazinyl)sulfonyl]-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: 1-[5-bromo-7-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: 1-[5-bromo-7-(4-cyclohexylpiperazino)sulfonyl-indolin-1-yl]propan-1-one Formula: C21H30BrN3O3S MolecularWeight: 484.4502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(CC3)C4CCCCC4)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(CC3)C4CCCCC4)Br

InChI

InChI=1S/C21H30BrN3O3S/c1-2-20(26)25-9-8-16-14-17(22)15-19(21(16)25)29(27,28)24-12-10-23(11-13-24)18-6-4-3-5-7-18/h14-15,18H,2-13H2,1H3