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

Systemtic Name: phenyl [(2-ethyl-3-oxidanylidene-1-phenyl-hexyl)amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [(2-ethyl-3-oxo-1-phenyl-hexyl)amino]-oxo-methanesulfonate CAS Name: [(2-ethyl-3-oxo-1-phenylhexyl)amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [(2-ethyl-3-oxo-1-phenylhexyl)amino]-oxomethanesulfonate Traditional Name: [(2-ethyl-3-keto-1-phenyl-hexyl)amino]-keto-methanesulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-3-11-19(23)18(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)