phenyl 2-[[(2-hydroxyphenyl)carbonylamino]-phenyl-methyl]-4-methyl-1-oxidanylidene-pentane-1-sulfonate

Systemtic Name: phenyl 2-[[(2-hydroxyphenyl)carbonylamino]-phenyl-methyl]-4-methyl-1-oxidanylidene-pentane-1-sulfonate Openeye Name: phenyl 2-[[(2-hydroxybenzoyl)amino]-phenyl-methyl]-4-methyl-1-oxo-pentane-1-sulfonate CAS Name: 2-[[[(2-hydroxyphenyl)-oxomethyl]amino]-phenylmethyl]-4-methyl-1-oxo-1-pentanesulfonic acid IUPAC Name: phenyl 2-[[(2-hydroxybenzoyl)amino]-phenylmethyl]-4-methyl-1-oxopentane-1-sulfonate Traditional Name: 1-keto-4-methyl-2-[phenyl-(salicyloylamino)methyl]pentane-1-sulfonic 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)C2=CC=CC=C2O)C(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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