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

Systemtic Name: phenyl 2-[acetamido(phenyl)methyl]-1-oxidanylidene-butane-1-sulfonate Openeye Name: phenyl 2-[acetamido(phenyl)methyl]-1-oxo-butane-1-sulfonate CAS Name: 2-[acetamido(phenyl)methyl]-1-oxo-1-butanesulfonic acid IUPAC Name: phenyl 2-[acetamido(phenyl)methyl]-1-oxobutane-1-sulfonate Traditional Name: 2-[acetamido(phenyl)methyl]-1-keto-butane-1-sulfonic acid phenyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-3-17(18(20-14(2)21)15-10-6-4-7-11-15)19(22)26(23,24)25-16-12-8-5-9-13-16/h4-13,17-18H,3H2,1-2H3,(H,20,21)