phenyl 1-(butanoylamino)-5-methyl-3-oxidanylidene-1-phenyl-hexane-2-sulfonate

Systemtic Name: phenyl 1-(butanoylamino)-5-methyl-3-oxidanylidene-1-phenyl-hexane-2-sulfonate Openeye Name: phenyl 1-(butanoylamino)-5-methyl-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 5-methyl-3-oxo-1-(1-oxobutylamino)-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 1-(butanoylamino)-5-methyl-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 1-butyramido-3-keto-5-methyl-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-4-11-21(26)24-22(18-12-7-5-8-13-18)23(20(25)16-17(2)3)30(27,28)29-19-14-9-6-10-15-19/h5-10,12-15,17,22-23H,4,11,16H2,1-3H3,(H,24,26)