phenyl 1-[(2-hydroxyphenyl)carbonylamino]-5-methyl-3-oxidanylidene-1-phenyl-hexane-2-sulfonate

Systemtic Name: phenyl 1-[(2-hydroxyphenyl)carbonylamino]-5-methyl-3-oxidanylidene-1-phenyl-hexane-2-sulfonate Openeye Name: phenyl 1-[(2-hydroxybenzoyl)amino]-5-methyl-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 1-[[(2-hydroxyphenyl)-oxomethyl]amino]-5-methyl-3-oxo-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 1-[(2-hydroxybenzoyl)amino]-5-methyl-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 3-keto-5-methyl-1-phenyl-1-(salicyloylamino)hexane-2-sulfonic acid phenyl ester Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2O)S(=O)(=O)OC3=CC=CC=C3

InChI

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