ethyl 4-[3-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(5-bromo-1-propanoyl-indolin-7-yl)sulfonylpropanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[[5-bromo-1-(1-oxopropyl)-2,3-dihydroindol-7-yl]sulfonyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-bromo-1-propionyl-indolin-7-yl)sulfonylpropanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28BrN3O6S MolecularWeight: 530.43252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O6S/c1-3-18(26)25-7-5-15-13-16(22)14-17(20(15)25)32(29,30)12-6-19(27)23-8-10-24(11-9-23)21(28)31-4-2/h13-14H,3-12H2,1-2H3