[2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl] heptane-1-sulfonate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl] heptane-1-sulfonate Openeye Name: [2-(tert-butylamino)-2-oxo-1-phenyl-ethyl] heptane-1-sulfonate CAS Name: 1-heptanesulfonic acid IUPAC Name: [2-(tert-butylamino)-2-oxo-1-phenylethyl] heptane-1-sulfonate Traditional Name: heptane-1-sulfonic acid [2-(tert-butylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H31NO4S MolecularWeight: 369.51874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)OC(C1=CC=CC=C1)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCCCCS(=O)(=O)OC(C1=CC=CC=C1)C(=O)NC(C)(C)C

InChI

InChI=1S/C19H31NO4S/c1-5-6-7-8-12-15-25(22,23)24-17(16-13-10-9-11-14-16)18(21)20-19(2,3)4/h9-11,13-14,17H,5-8,12,15H2,1-4H3,(H,20,21)