7-[(6-chloranylquinolin-2-yl)methyl-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[(6-chloranylquinolin-2-yl)methyl-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[(6-chloro-2-quinolyl)methyl-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[(6-chloro-2-quinolinyl)methyl-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[(6-chloroquinolin-2-yl)methyl-methylsulfonylamino]heptanoic acid Traditional Name: 7-[(6-chloro-2-quinolyl)methyl-mesyl-amino]enanthic acid Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=NC2=C(C=C1)C=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CC1=NC2=C(C=C1)C=C(C=C2)Cl

InChI

InChI=1S/C18H23ClN2O4S/c1-26(24,25)21(11-5-3-2-4-6-18(22)23)13-16-9-7-14-12-15(19)8-10-17(14)20-16/h7-10,12H,2-6,11,13H2,1H3,(H,22,23)