(2R,3S)-N-[(4-methylsulfonylphenyl)methyl]-2,3-bis(oxidanyl)-3-quinolin-2-yl-propanamide

Systemtic Name: (2R,3S)-N-[(4-methylsulfonylphenyl)methyl]-2,3-bis(oxidanyl)-3-quinolin-2-yl-propanamide Openeye Name: (2R,3S)-2,3-dihydroxy-N-[(4-methylsulfonylphenyl)methyl]-3-(2-quinolyl)propanamide CAS Name: (2R,3S)-2,3-dihydroxy-N-[(4-methylsulfonylphenyl)methyl]-3-(2-quinolinyl)propanamide IUPAC Name: (2R,3S)-2,3-dihydroxy-N-[(4-methylsulfonylphenyl)methyl]-3-quinolin-2-ylpropanamide Traditional Name: (2R,3S)-2,3-dihydroxy-N-(4-mesylbenzyl)-3-(2-quinolyl)propionamide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C(C(C2=NC3=CC=CC=C3C=C2)O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)[C@@H]([C@H](C2=NC3=CC=CC=C3C=C2)O)O

InChI

InChI=1S/C20H20N2O5S/c1-28(26,27)15-9-6-13(7-10-15)12-21-20(25)19(24)18(23)17-11-8-14-4-2-3-5-16(14)22-17/h2-11,18-19,23-24H,12H2,1H3,(H,21,25)/t18-,19+/m0/s1