(2,5-dimethylphenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (2,5-dimethylphenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (2,5-dimethylphenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (2,5-dimethylbenzyl) ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H24ClNO4S/c1-13(2)19(22-27(24,25)18-9-7-17(21)8-10-18)20(23)26-12-16-11-14(3)5-6-15(16)4/h5-11,13,19,22H,12H2,1-4H3/t19-/m0/s1