[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H25F3N2O5S MolecularWeight: 522.53661

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H25F3N2O5S/c1-2-16-6-5-7-18-19(14-29-23(16)18)21(31)15-35-24(32)17-10-12-30(13-11-17)36(33,34)22-9-4-3-8-20(22)25(26,27)28/h3-9,14,17,29H,2,10-13,15H2,1H3