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

Systemtic Name: 1-[5-bromanyl-7-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: 1-[5-bromo-7-[3-methyl-4-(p-tolyl)piperazin-1-yl]sulfonyl-indolin-1-yl]propan-1-one CAS Name: 1-[5-bromo-7-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: 1-[5-bromo-7-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: 1-[5-bromo-7-[3-methyl-4-(p-tolyl)piperazino]sulfonyl-indolin-1-yl]propan-1-one Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(C(C3)C)C4=CC=C(C=C4)C)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCN(C(C3)C)C4=CC=C(C=C4)C)Br

InChI

InChI=1S/C23H28BrN3O3S/c1-4-22(28)27-10-9-18-13-19(24)14-21(23(18)27)31(29,30)25-11-12-26(17(3)15-25)20-7-5-16(2)6-8-20/h5-8,13-14,17H,4,9-12,15H2,1-3H3