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

Systemtic Name: 1-[5-bromanyl-7-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: 1-[7-(4-benzylpiperazin-1-yl)sulfonyl-5-bromo-indolin-1-yl]propan-1-one CAS Name: 1-[5-bromo-7-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: 1-[7-(4-benzylpiperazin-1-yl)sulfonyl-5-bromo-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: 1-[7-(4-benzylpiperazino)sulfonyl-5-bromo-indolin-1-yl]propan-1-one Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-2-21(27)26-9-8-18-14-19(23)15-20(22(18)26)30(28,29)25-12-10-24(11-13-25)16-17-6-4-3-5-7-17/h3-7,14-15H,2,8-13,16H2,1H3