4-[[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-keto-ethyl]thio]methyl]benzoic acid Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CSCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CSCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S2/c1-22(2)30(27,28)18-9-10-19-17(12-18)4-3-11-23(19)20(24)14-29-13-15-5-7-16(8-6-15)21(25)26/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,25,26)