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

Systemtic Name: phenyl [[2-(2-methylpropyl)-3-oxidanylidene-1-phenyl-pentyl]amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [(2-isobutyl-3-oxo-1-phenyl-pentyl)amino]-oxo-methanesulfonate CAS Name: [[2-(2-methylpropyl)-3-oxo-1-phenylpentyl]amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [[2-(2-methylpropyl)-3-oxo-1-phenylpentyl]amino]-oxomethanesulfonate Traditional Name: [(2-isobutyl-3-keto-1-phenyl-pentyl)amino]-keto-methanesulfonic acid phenyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-4-20(24)19(15-16(2)3)21(17-11-7-5-8-12-17)23-22(25)29(26,27)28-18-13-9-6-10-14-18/h5-14,16,19,21H,4,15H2,1-3H3,(H,23,25)