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

Systemtic Name: 1-(4-methylsulfonylphenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(4-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(4-methylsulfonylphenyl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(4-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(4-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=C(C=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

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

InChI

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