(3S)-1-(4-fluorophenyl)carbonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)carbonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(2-allylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-N-[2-(prop-2-enylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorobenzoyl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(allylthio)phenyl]-1-(4-fluorobenzoyl)nipecotamide Formula: C22H23FN2O2S MolecularWeight: 398.493623

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O2S/c1-2-14-28-20-8-4-3-7-19(20)24-21(26)17-6-5-13-25(15-17)22(27)16-9-11-18(23)12-10-16/h2-4,7-12,17H,1,5-6,13-15H2,(H,24,26)/t17-/m0/s1