(3S)-3-methyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxidanylidene-pentanamide

Systemtic Name: (3S)-3-methyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxidanylidene-pentanamide Openeye Name: (3S)-3-methyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-oxo-pentanamide CAS Name: (3S)-3-methyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-oxopentanamide IUPAC Name: (3S)-3-methyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxopentanamide Traditional Name: (3S)-2-keto-N-[[(2R)-5-(4-mesylphenyl)coumaran-2-yl]methyl]-3-methyl-valeramide Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)NCC1CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)C(=O)C(=O)NC[C@H]1CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H25NO5S/c1-4-14(2)21(24)22(25)23-13-18-12-17-11-16(7-10-20(17)28-18)15-5-8-19(9-6-15)29(3,26)27/h5-11,14,18H,4,12-13H2,1-3H3,(H,23,25)/t14-,18+/m0/s1