[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H23FN2O5S2 MolecularWeight: 454.535423

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H23FN2O5S2/c1-22(13-15-4-2-5-17(21)12-15)18(24)14-28-20(25)16-7-9-23(10-8-16)30(26,27)19-6-3-11-29-19/h2-6,11-12,16H,7-10,13-14H2,1H3