1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-5-bromanyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-5-bromanyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-5-bromo-indolin-1-yl]ethanone CAS Name: 1-[6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-5-bromo-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-5-bromo-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[5-bromo-6-(4-piperonylpiperazino)sulfonyl-indolin-1-yl]ethanone Formula: C22H24BrN3O5S MolecularWeight: 522.41206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Br

InChI

InChI=1S/C22H24BrN3O5S/c1-15(27)26-5-4-17-11-18(23)22(12-19(17)26)32(28,29)25-8-6-24(7-9-25)13-16-2-3-20-21(10-16)31-14-30-20/h2-3,10-12H,4-9,13-14H2,1H3