6-[(E)-3,3-dimethylbut-1-enyl]-3-(oxan-2-ylmethylsulfonylamino)-2-oxidanylidene-pyridine-1-carboxylic acid

Systemtic Name: 6-[(E)-3,3-dimethylbut-1-enyl]-3-(oxan-2-ylmethylsulfonylamino)-2-oxidanylidene-pyridine-1-carboxylic acid Openeye Name: 6-[(E)-3,3-dimethylbut-1-enyl]-2-oxo-3-(tetrahydropyran-2-ylmethylsulfonylamino)pyridine-1-carboxylic acid CAS Name: 6-[(E)-3,3-dimethylbut-1-enyl]-3-(2-oxanylmethylsulfonylamino)-2-oxo-1-pyridinecarboxylic acid IUPAC Name: 6-[(E)-3,3-dimethylbut-1-enyl]-3-(oxan-2-ylmethylsulfonylamino)-2-oxopyridine-1-carboxylic acid Traditional Name: 6-[(E)-3,3-dimethylbut-1-enyl]-2-keto-3-(tetrahydropyran-2-ylmethylsulfonylamino)pyridine-1-carboxylic acid Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CC1=CC=C(C(=O)N1C(=O)O)NS(=O)(=O)CC2CCCCO2

Isomeric SMILES

CC(C)(C)/C=C/C1=CC=C(C(=O)N1C(=O)O)NS(=O)(=O)CC2CCCCO2

InChI

InChI=1S/C18H26N2O6S/c1-18(2,3)10-9-13-7-8-15(16(21)20(13)17(22)23)19-27(24,25)12-14-6-4-5-11-26-14/h7-10,14,19H,4-6,11-12H2,1-3H3,(H,22,23)/b10-9+