4-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H20N2O5S/c1-27(25,26)21-10-2-3-15-11-16(8-9-17(15)21)18(22)20-12-13-4-6-14(7-5-13)19(23)24/h4-9,11H,2-3,10,12H2,1H3,(H,20,22)(H,23,24)