phenyl [[4-methyl-1-phenyl-2-(2-phenylethanoyl)pentyl]amino]-oxidanylidene-methanesulfonate

Systemtic Name: phenyl [[4-methyl-1-phenyl-2-(2-phenylethanoyl)pentyl]amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [[4-methyl-1-phenyl-2-(2-phenylacetyl)pentyl]amino]-oxo-methanesulfonate CAS Name: [[4-methyl-2-(1-oxo-2-phenylethyl)-1-phenylpentyl]amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [[4-methyl-1-phenyl-2-(2-phenylacetyl)pentyl]amino]-oxomethanesulfonate Traditional Name: keto-[[4-methyl-1-phenyl-2-(2-phenylacetyl)pentyl]amino]methanesulfonic acid phenyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H29NO5S/c1-20(2)18-24(25(29)19-21-12-6-3-7-13-21)26(22-14-8-4-9-15-22)28-27(30)34(31,32)33-23-16-10-5-11-17-23/h3-17,20,24,26H,18-19H2,1-2H3,(H,28,30)