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

Systemtic Name: methyl 1-[2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H25FN2O5S MolecularWeight: 472.529103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O5S/c1-32-24(29)18-9-11-26(12-10-18)23(28)15-27-14-22(20-7-2-3-8-21(20)27)33(30,31)16-17-5-4-6-19(25)13-17/h2-8,13-14,18H,9-12,15-16H2,1H3