4-[2-methyl-4-[(Z)-1-phenylethylideneamino]oxycarbonyl-hexan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[2-methyl-4-[(Z)-1-phenylethylideneamino]oxycarbonyl-hexan-2-yl]benzenesulfonic acid Openeye Name: 4-[1,1-dimethyl-3-[(Z)-1-phenylethylideneamino]oxycarbonyl-pentyl]benzenesulfonic acid CAS Name: 4-[2-methyl-4-[oxo-[(Z)-1-phenylethylideneamino]oxymethyl]hexan-2-yl]benzenesulfonic acid IUPAC Name: 4-[2-methyl-4-[(Z)-1-phenylethylideneamino]oxycarbonylhexan-2-yl]benzenesulfonic acid Traditional Name: 4-[1,1-dimethyl-3-[(Z)-1-phenylethylideneamino]oxycarbonyl-pentyl]besylic acid Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O)C(=O)ON=C(C)C2=CC=CC=C2

Isomeric SMILES

CCC(CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O)C(=O)O/N=C(/C)\C2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-5-17(21(24)28-23-16(2)18-9-7-6-8-10-18)15-22(3,4)19-11-13-20(14-12-19)29(25,26)27/h6-14,17H,5,15H2,1-4H3,(H,25,26,27)/b23-16-