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

Systemtic Name: ethyl 1-[(5-bromanyl-1-cyclopropylcarbonyl-2,3-dihydroindol-7-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-bromo-1-(cyclopropanecarbonyl)indolin-7-yl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]piperidine-3-carboxylate Traditional Name: 1-[5-bromo-1-(cyclopropanecarbonyl)indolin-7-yl]sulfonylnipecotic acid ethyl ester Formula: C20H25BrN2O5S MolecularWeight: 485.3919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4

InChI

InChI=1S/C20H25BrN2O5S/c1-2-28-20(25)15-4-3-8-22(12-15)29(26,27)17-11-16(21)10-14-7-9-23(18(14)17)19(24)13-5-6-13/h10-11,13,15H,2-9,12H2,1H3