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

Systemtic Name: phenyl [(2-methyl-3-oxidanylidene-1-phenyl-hexyl)amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [(2-methyl-3-oxo-1-phenyl-hexyl)amino]-oxo-methanesulfonate CAS Name: [(2-methyl-3-oxo-1-phenylhexyl)amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [(2-methyl-3-oxo-1-phenylhexyl)amino]-oxomethanesulfonate Traditional Name: keto-[(3-keto-2-methyl-1-phenyl-hexyl)amino]methanesulfonic acid phenyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-10-18(22)15(2)19(16-11-6-4-7-12-16)21-20(23)27(24,25)26-17-13-8-5-9-14-17/h4-9,11-15,19H,3,10H2,1-2H3,(H,21,23)