[2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl] cyclohepta-1,3,6-triene-1-sulfonate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl] cyclohepta-1,3,6-triene-1-sulfonate Openeye Name: [2-(tert-butylamino)-2-oxo-1-phenyl-ethyl] cyclohepta-1,3,6-triene-1-sulfonate CAS Name: 1-cyclohepta-1,3,6-trienesulfonic acid [2-(tert-butylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxo-1-phenylethyl] cyclohepta-1,3,6-triene-1-sulfonate Traditional Name: cyclohepta-1,3,6-triene-1-sulfonic acid [2-(tert-butylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=CC=C1)OS(=O)(=O)C2=CC=CCC=C2

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=CC=C1)OS(=O)(=O)C2=CC=CCC=C2

InChI

InChI=1S/C19H23NO4S/c1-19(2,3)20-18(21)17(15-11-7-6-8-12-15)24-25(22,23)16-13-9-4-5-10-14-16/h4,6-14,17H,5H2,1-3H3,(H,20,21)