phenyl [(2,5-dimethyl-3-oxidanylidene-1-phenyl-hexyl)amino]-oxidanylidene-methanesulfonate

Systemtic Name: phenyl [(2,5-dimethyl-3-oxidanylidene-1-phenyl-hexyl)amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [(2,5-dimethyl-3-oxo-1-phenyl-hexyl)amino]-oxo-methanesulfonate CAS Name: [(2,5-dimethyl-3-oxo-1-phenylhexyl)amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [(2,5-dimethyl-3-oxo-1-phenylhexyl)amino]-oxomethanesulfonate Traditional Name: keto-[(3-keto-2,5-dimethyl-1-phenyl-hexyl)amino]methanesulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-15(2)14-19(23)16(3)20(17-10-6-4-7-11-17)22-21(24)28(25,26)27-18-12-8-5-9-13-18/h4-13,15-16,20H,14H2,1-3H3,(H,22,24)