5-[3-[(6-chloranylquinolin-2-yl)methyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[(6-chloranylquinolin-2-yl)methyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(6-chloro-2-quinolyl)methyl-methylsulfonyl-amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[(6-chloro-2-quinolinyl)methyl-methylsulfonylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(6-chloroquinolin-2-yl)methyl-methylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(6-chloro-2-quinolyl)methyl-mesyl-amino]propyl]-2-thenoic acid Formula: C19H19ClN2O4S2 MolecularWeight: 438.94816

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CC2=NC3=C(C=C2)C=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CC2=NC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O4S2/c1-28(25,26)22(10-2-3-16-7-9-18(27-16)19(23)24)12-15-6-4-13-11-14(20)5-8-17(13)21-15/h4-9,11H,2-3,10,12H2,1H3,(H,23,24)