6-[(Z)-5,5-dimethylhex-3-en-3-yl]-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridine-1-carboxylic acid

Systemtic Name: 6-[(Z)-5,5-dimethylhex-3-en-3-yl]-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridine-1-carboxylic acid Openeye Name: 3-(benzylsulfonylamino)-6-[(Z)-1-ethyl-3,3-dimethyl-but-1-enyl]-2-oxo-pyridine-1-carboxylic acid CAS Name: 6-[(Z)-5,5-dimethylhex-3-en-3-yl]-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-pyridinecarboxylic acid IUPAC Name: 3-(benzylsulfonylamino)-6-[(Z)-5,5-dimethylhex-3-en-3-yl]-2-oxopyridine-1-carboxylic acid Traditional Name: 3-(benzylsulfonylamino)-6-[(Z)-1-ethyl-3,3-dimethyl-but-1-enyl]-2-keto-pyridine-1-carboxylic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(C)(C)C)C1=CC=C(C(=O)N1C(=O)O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC/C(=C/C(C)(C)C)/C1=CC=C(C(=O)N1C(=O)O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-5-16(13-21(2,3)4)18-12-11-17(19(24)23(18)20(25)26)22-29(27,28)14-15-9-7-6-8-10-15/h6-13,22H,5,14H2,1-4H3,(H,25,26)/b16-13-