[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO6S/c1-17-13-14-18(2)23(15-17)33(29,30)32-22-12-8-7-11-21(22)25(28)31-16-24(27)26-19(3)20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3,(H,26,27)/t19-/m1/s1