methyl 2-[[4-(hydroxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: methyl 2-[[4-(hydroxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: methyl 2-[[4-(hydroxymethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[[4-(hydroxymethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-(hydroxymethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoate Traditional Name: 4-mesyl-2-[[4-methylol-2-(o-tolyl)benzoyl]amino]butyric acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CO)C(=O)NC(CCS(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CO)C(=O)NC(CCS(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C21H25NO6S/c1-14-6-4-5-7-16(14)18-12-15(13-23)8-9-17(18)20(24)22-19(21(25)28-2)10-11-29(3,26)27/h4-9,12,19,23H,10-11,13H2,1-3H3,(H,22,24)