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

Systemtic Name: phenyl oxidanylidene-[(3-oxidanylidene-1-phenyl-2-propyl-pentyl)amino]methanesulfonate Openeye Name: phenyl oxo-[(3-oxo-1-phenyl-2-propyl-pentyl)amino]methanesulfonate CAS Name: oxo-[(3-oxo-1-phenyl-2-propylpentyl)amino]methanesulfonic acid phenyl ester IUPAC Name: phenyl oxo-[(3-oxo-1-phenyl-2-propylpentyl)amino]methanesulfonate Traditional Name: keto-[(3-keto-1-phenyl-2-propyl-pentyl)amino]methanesulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-3-11-18(19(23)4-2)20(16-12-7-5-8-13-16)22-21(24)28(25,26)27-17-14-9-6-10-15-17/h5-10,12-15,18,20H,3-4,11H2,1-2H3,(H,22,24)