1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]propan-1-one Openeye Name: 3-(1-acetyl-5-bromo-indolin-7-yl)sulfonyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1-acetyl-5-bromo-indolin-7-yl)sulfonyl-1-(4-piperonylpiperazino)propan-1-one Formula: C25H28BrN3O6S MolecularWeight: 578.47532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrN3O6S/c1-17(30)29-6-4-19-13-20(26)14-23(25(19)29)36(32,33)11-5-24(31)28-9-7-27(8-10-28)15-18-2-3-21-22(12-18)35-16-34-21/h2-3,12-14H,4-11,15-16H2,1H3