phenacyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: phenacyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: phenacyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid phenacyl ester IUPAC Name: phenacyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butyric acid phenacyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@H](C(C)C)C(=O)OCC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO5S/c1-14(2)20(21(24)27-13-19(23)17-8-6-5-7-9-17)22-28(25,26)18-11-10-15(3)16(4)12-18/h5-12,14,20,22H,13H2,1-4H3/t20-/m1/s1