(2S)-1-ethanoyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-ethanoyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-acetyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-acetyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-acetyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-acetyl-N-[[(2R)-5-(4-mesylphenyl)coumaran-2-yl]methyl]pyrrolidine-2-carboxamide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1CCC[C@H]1C(=O)NC[C@H]2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O5S/c1-15(26)25-11-3-4-21(25)23(27)24-14-19-13-18-12-17(7-10-22(18)30-19)16-5-8-20(9-6-16)31(2,28)29/h5-10,12,19,21H,3-4,11,13-14H2,1-2H3,(H,24,27)/t19-,21+/m1/s1