phenyl oxidanylidene-[(3-oxidanylidene-1-phenyl-2-propyl-hexyl)amino]methanesulfonate

Systemtic Name: phenyl oxidanylidene-[(3-oxidanylidene-1-phenyl-2-propyl-hexyl)amino]methanesulfonate Openeye Name: phenyl oxo-[(3-oxo-1-phenyl-2-propyl-hexyl)amino]methanesulfonate CAS Name: oxo-[(3-oxo-1-phenyl-2-propylhexyl)amino]methanesulfonic acid phenyl ester IUPAC Name: phenyl oxo-[(3-oxo-1-phenyl-2-propylhexyl)amino]methanesulfonate Traditional Name: keto-[(3-keto-1-phenyl-2-propyl-hexyl)amino]methanesulfonic acid phenyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)CCC

Isomeric SMILES

CCCC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)CCC

InChI

InChI=1S/C22H27NO5S/c1-3-11-19(20(24)12-4-2)21(17-13-7-5-8-14-17)23-22(25)29(26,27)28-18-15-9-6-10-16-18/h5-10,13-16,19,21H,3-4,11-12H2,1-2H3,(H,23,25)