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

Systemtic Name: ethyl 1-[3-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(5-bromo-1-propanoyl-indolin-7-yl)sulfonylpropanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[[5-bromo-1-(1-oxopropyl)-2,3-dihydroindol-7-yl]sulfonyl]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(5-bromo-1-propionyl-indolin-7-yl)sulfonylpropanoyl]nipecotic acid ethyl ester Formula: C22H29BrN2O6S MolecularWeight: 529.44446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)N3CCCC(C3)C(=O)OCC)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)N3CCCC(C3)C(=O)OCC)Br

InChI

InChI=1S/C22H29BrN2O6S/c1-3-19(26)25-10-7-15-12-17(23)13-18(21(15)25)32(29,30)11-8-20(27)24-9-5-6-16(14-24)22(28)31-4-2/h12-13,16H,3-11,14H2,1-2H3