1-(2-hydroxyethyl)-6-[(2-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(2-hydroxyethyl)-6-[(2-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2-hydroxyethyl)-6-[(2-methylsulfonylphenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2-hydroxyethyl)-6-[(2-methylsulfonylphenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2-hydroxyethyl)-6-[(2-methylsulfonylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2-hydroxyethyl)-4-keto-6-(2-mesylbenzyl)quinoline-3-carboxylic acid Formula: C20H19NO6S MolecularWeight: 401.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

InChI

InChI=1S/C20H19NO6S/c1-28(26,27)18-5-3-2-4-14(18)10-13-6-7-17-15(11-13)19(23)16(20(24)25)12-21(17)8-9-22/h2-7,11-12,22H,8-10H2,1H3,(H,24,25)