phenyl 1-oxidanylidene-2-[phenyl-(propanoylamino)methyl]butane-1-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-2-[phenyl-(propanoylamino)methyl]butane-1-sulfonate Openeye Name: phenyl 1-oxo-2-[phenyl-(propanoylamino)methyl]butane-1-sulfonate CAS Name: 1-oxo-2-[(1-oxopropylamino)-phenylmethyl]-1-butanesulfonic acid IUPAC Name: phenyl 1-oxo-2-[phenyl-(propanoylamino)methyl]butane-1-sulfonate Traditional Name: 1-keto-2-[phenyl(propionamido)methyl]butane-1-sulfonic acid phenyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-17(19(21-18(22)4-2)15-11-7-5-8-12-15)20(23)27(24,25)26-16-13-9-6-10-14-16/h5-14,17,19H,3-4H2,1-2H3,(H,21,22)