(2S)-N-[4-(4-fluoranylphenoxy)butyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-(4-fluoranylphenoxy)butyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(4-fluorophenoxy)butyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-(4-fluorophenoxy)butyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(4-fluorophenoxy)butyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(4-fluorophenoxy)butyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCCCOC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCCCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O4S/c1-17-6-12-20(13-7-17)30(27,28)25-15-4-5-21(25)22(26)24-14-2-3-16-29-19-10-8-18(23)9-11-19/h6-13,21H,2-5,14-16H2,1H3,(H,24,26)/t21-/m0/s1