[(1S,2R)-3-[(4-methoxyphenyl)amino]-2-methyl-3-oxidanylidene-1-phenyl-propyl] benzenesulfonate

Systemtic Name: [(1S,2R)-3-[(4-methoxyphenyl)amino]-2-methyl-3-oxidanylidene-1-phenyl-propyl] benzenesulfonate Openeye Name: [(1S,2R)-3-(4-methoxyanilino)-2-methyl-3-oxo-1-phenyl-propyl] benzenesulfonate CAS Name: benzenesulfonic acid [(1S,2R)-3-(4-methoxyanilino)-2-methyl-3-oxo-1-phenylpropyl] ester IUPAC Name: [(1S,2R)-3-(4-methoxyanilino)-2-methyl-3-oxo-1-phenylpropyl] benzenesulfonate Traditional Name: benzenesulfonic acid [(1S,2R)-3-keto-2-methyl-3-(p-anisidino)-1-phenyl-propyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)OS(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1)OS(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H23NO5S/c1-17(23(25)24-19-13-15-20(28-2)16-14-19)22(18-9-5-3-6-10-18)29-30(26,27)21-11-7-4-8-12-21/h3-17,22H,1-2H3,(H,24,25)/t17-,22+/m1/s1