1-(3-methylsulfonylphenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(3-methylsulfonylphenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(3-methylsulfonylphenyl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(3-mesylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-25(23,24)13-6-2-5-12(11-13)17(20)19-10-4-8-14-15(18(21)22)7-3-9-16(14)19/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,21,22)