phenyl 1-(butanoylamino)-3-oxidanylidene-1-phenyl-hexane-2-sulfonate

Systemtic Name: phenyl 1-(butanoylamino)-3-oxidanylidene-1-phenyl-hexane-2-sulfonate Openeye Name: phenyl 1-(butanoylamino)-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 3-oxo-1-(1-oxobutylamino)-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 1-(butanoylamino)-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 1-butyramido-3-keto-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(C1=CC=CC=C1)NC(=O)CCC)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C(C(C1=CC=CC=C1)NC(=O)CCC)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-3-11-19(24)22(29(26,27)28-18-15-9-6-10-16-18)21(23-20(25)12-4-2)17-13-7-5-8-14-17/h5-10,13-16,21-22H,3-4,11-12H2,1-2H3,(H,23,25)