1-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-(1-acetyl-5-bromo-indolin-7-yl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-(1-acetyl-5-bromo-indolin-7-yl)sulfonylisonipecotic acid Formula: C16H19BrN2O5S MolecularWeight: 431.30146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC(CC3)C(=O)O)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCC(CC3)C(=O)O)Br

InChI

InChI=1S/C16H19BrN2O5S/c1-10(20)19-7-4-12-8-13(17)9-14(15(12)19)25(23,24)18-5-2-11(3-6-18)16(21)22/h8-9,11H,2-7H2,1H3,(H,21,22)