phenyl 3-(butanoylamino)-2-methyl-1-oxidanylidene-3-phenyl-propane-1-sulfonate

Systemtic Name: phenyl 3-(butanoylamino)-2-methyl-1-oxidanylidene-3-phenyl-propane-1-sulfonate Openeye Name: phenyl 3-(butanoylamino)-2-methyl-1-oxo-3-phenyl-propane-1-sulfonate CAS Name: 2-methyl-1-oxo-3-(1-oxobutylamino)-3-phenyl-1-propanesulfonic acid IUPAC Name: phenyl 3-(butanoylamino)-2-methyl-1-oxo-3-phenylpropane-1-sulfonate Traditional Name: 3-butyramido-1-keto-2-methyl-3-phenyl-propane-1-sulfonic acid phenyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-10-18(22)21-19(16-11-6-4-7-12-16)15(2)20(23)27(24,25)26-17-13-8-5-9-14-17/h4-9,11-15,19H,3,10H2,1-2H3,(H,21,22)