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

Systemtic Name: phenyl [[2-(2-hydroxyphenyl)carbonyl-4-methyl-1-phenyl-pentyl]amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [[2-(2-hydroxybenzoyl)-4-methyl-1-phenyl-pentyl]amino]-oxo-methanesulfonate CAS Name: [[2-[(2-hydroxyphenyl)-oxomethyl]-4-methyl-1-phenylpentyl]amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [[2-(2-hydroxybenzoyl)-4-methyl-1-phenylpentyl]amino]-oxomethanesulfonate Traditional Name: keto-[(4-methyl-1-phenyl-2-salicyloyl-pentyl)amino]methanesulfonic acid phenyl ester Formula: C26H27NO6S MolecularWeight: 481.56068

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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)C3=CC=CC=C3O

Isomeric SMILES

CC(C)CC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)C3=CC=CC=C3O

InChI

InChI=1S/C26H27NO6S/c1-18(2)17-22(25(29)21-15-9-10-16-23(21)28)24(19-11-5-3-6-12-19)27-26(30)34(31,32)33-20-13-7-4-8-14-20/h3-16,18,22,24,28H,17H2,1-2H3,(H,27,30)