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

Systemtic Name: 6-[(E)-3,3-dimethylbut-1-enyl]-2-oxidanylidene-3-(pentylsulfonylamino)pyridine-1-carboxylic acid Openeye Name: 6-[(E)-3,3-dimethylbut-1-enyl]-2-oxo-3-(pentylsulfonylamino)pyridine-1-carboxylic acid CAS Name: 6-[(E)-3,3-dimethylbut-1-enyl]-2-oxo-3-(pentylsulfonylamino)-1-pyridinecarboxylic acid IUPAC Name: 6-[(E)-3,3-dimethylbut-1-enyl]-2-oxo-3-(pentylsulfonylamino)pyridine-1-carboxylic acid Traditional Name: 3-(amylsulfonylamino)-6-[(E)-3,3-dimethylbut-1-enyl]-2-keto-pyridine-1-carboxylic acid Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC1=CC=C(N(C1=O)C(=O)O)C=CC(C)(C)C

Isomeric SMILES

CCCCCS(=O)(=O)NC1=CC=C(N(C1=O)C(=O)O)/C=C/C(C)(C)C

InChI

InChI=1S/C17H26N2O5S/c1-5-6-7-12-25(23,24)18-14-9-8-13(10-11-17(2,3)4)19(15(14)20)16(21)22/h8-11,18H,5-7,12H2,1-4H3,(H,21,22)/b11-10+