N-[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H27FN2O4S MolecularWeight: 446.534883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)OC)F)NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H27FN2O4S/c1-17(20-8-9-22(30-2)21(24)16-20)25-23(27)19-10-13-26(14-11-19)31(28,29)15-12-18-6-4-3-5-7-18/h3-9,12,15-17,19H,10-11,13-14H2,1-2H3,(H,25,27)/b15-12+/t17-/m0/s1