ethyl 1-[2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[3-[(3-fluorophenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-(3-fluorobenzyl)sulfonylindol-1-yl]acetyl]isonipecotic acid ethyl ester Formula: C25H27FN2O5S MolecularWeight: 486.555683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H27FN2O5S/c1-2-33-25(30)19-10-12-27(13-11-19)24(29)16-28-15-23(21-8-3-4-9-22(21)28)34(31,32)17-18-6-5-7-20(26)14-18/h3-9,14-15,19H,2,10-13,16-17H2,1H3