1-[3-(methylsulfonylmethyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[3-(methylsulfonylmethyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[3-(methylsulfonylmethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[3-(methylsulfonylmethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[3-(mesylmethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C19H19NO5S/c1-26(24,25)12-13-5-2-6-14(11-13)18(21)20-10-4-8-15-16(19(22)23)7-3-9-17(15)20/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,22,23)