N-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: 1-esyl-N-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]isonipecotamide Formula: C23H29FN2O3S MolecularWeight: 432.551363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NC(=O)C3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)F)NC(=O)C3CCN(CC3)S(=O)(=O)CC

InChI

InChI=1S/C23H29FN2O3S/c1-3-17-8-10-18(11-9-17)22(20-6-5-7-21(24)16-20)25-23(27)19-12-14-26(15-13-19)30(28,29)4-2/h5-11,16,19,22H,3-4,12-15H2,1-2H3,(H,25,27)/t22-/m0/s1