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

Systemtic Name: 1-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]piperidine-3-carboxylic acid Openeye Name: 1-(5-bromo-1-propanoyl-indolin-7-yl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[[5-bromo-1-(1-oxopropyl)-2,3-dihydroindol-7-yl]sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-bromo-1-propionyl-indolin-7-yl)sulfonylnipecotic acid Formula: C17H21BrN2O5S MolecularWeight: 445.32804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O5S/c1-2-15(21)20-7-5-11-8-13(18)9-14(16(11)20)26(24,25)19-6-3-4-12(10-19)17(22)23/h8-9,12H,2-7,10H2,1H3,(H,22,23)