phenyl 1-benzamido-3-oxidanylidene-1-phenyl-hexane-2-sulfonate

Systemtic Name: phenyl 1-benzamido-3-oxidanylidene-1-phenyl-hexane-2-sulfonate Openeye Name: phenyl 1-benzamido-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 1-benzamido-3-oxo-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 1-benzamido-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 1-benzamido-3-keto-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5S/c1-2-12-22(27)24(32(29,30)31-21-17-10-5-11-18-21)23(19-13-6-3-7-14-19)26-25(28)20-15-8-4-9-16-20/h3-11,13-18,23-24H,2,12H2,1H3,(H,26,28)