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

Systemtic Name: phenyl [[2-(2-methylpropyl)-3-oxidanylidene-1-phenyl-hexyl]amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [(2-isobutyl-3-oxo-1-phenyl-hexyl)amino]-oxo-methanesulfonate CAS Name: [[2-(2-methylpropyl)-3-oxo-1-phenylhexyl]amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [[2-(2-methylpropyl)-3-oxo-1-phenylhexyl]amino]-oxomethanesulfonate Traditional Name: [(2-isobutyl-3-keto-1-phenyl-hexyl)amino]-keto-methanesulfonic acid phenyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-4-11-21(25)20(16-17(2)3)22(18-12-7-5-8-13-18)24-23(26)30(27,28)29-19-14-9-6-10-15-19/h5-10,12-15,17,20,22H,4,11,16H2,1-3H3,(H,24,26)