[4-(4-fluorophenyl)carbonylphenyl] (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Openeye Name: [4-(4-fluorobenzoyl)phenyl] (3S)-1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: (3S)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(2-thienylsulfonyl)nipecotic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C23H20FNO5S2 MolecularWeight: 473.537003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FNO5S2/c24-19-9-5-16(6-10-19)22(26)17-7-11-20(12-8-17)30-23(27)18-3-1-13-25(15-18)32(28,29)21-4-2-14-31-21/h2,4-12,14,18H,1,3,13,15H2/t18-/m0/s1