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

Systemtic Name: ethyl 1-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1-acetyl-5-bromo-indolin-7-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-(1-acetyl-5-bromo-indolin-7-yl)sulfonylisonipecotic acid ethyl ester Formula: C18H23BrN2O5S MolecularWeight: 459.35462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C

InChI

InChI=1S/C18H23BrN2O5S/c1-3-26-18(23)13-4-7-20(8-5-13)27(24,25)16-11-15(19)10-14-6-9-21(12(2)22)17(14)16/h10-11,13H,3-9H2,1-2H3