phenyl 1-(butanoylamino)-3-oxidanylidene-1,4-diphenyl-butane-2-sulfonate

Systemtic Name: phenyl 1-(butanoylamino)-3-oxidanylidene-1,4-diphenyl-butane-2-sulfonate Openeye Name: phenyl 1-(butanoylamino)-3-oxo-1,4-diphenyl-butane-2-sulfonate CAS Name: 3-oxo-1-(1-oxobutylamino)-1,4-diphenyl-2-butanesulfonic acid IUPAC Name: phenyl 1-(butanoylamino)-3-oxo-1,4-diphenylbutane-2-sulfonate Traditional Name: 1-butyramido-3-keto-1,4-diphenyl-butane-2-sulfonic acid phenyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C1=CC=CC=C1)C(C(=O)CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC(C1=CC=CC=C1)C(C(=O)CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C26H27NO5S/c1-2-12-24(29)27-25(21-15-8-4-9-16-21)26(23(28)19-20-13-6-3-7-14-20)33(30,31)32-22-17-10-5-11-18-22/h3-11,13-18,25-26H,2,12,19H2,1H3,(H,27,29)