[(1S)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl] 4-methoxybenzenesulfonate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl] 4-methoxybenzenesulfonate Openeye Name: [(1S)-2-anilino-2-oxo-1-phenyl-ethyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(1S)-2-anilino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-anilino-2-oxo-1-phenylethyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(1S)-2-anilino-2-keto-1-phenyl-ethyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S/c1-26-18-12-14-19(15-13-18)28(24,25)27-20(16-8-4-2-5-9-16)21(23)22-17-10-6-3-7-11-17/h2-15,20H,1H3,(H,22,23)/t20-/m0/s1