methyl 2-[(2R)-1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonyl-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCNC(=O)C2CC(=O)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)OC)C)C(C)(C)C

InChI

InChI=1S/C19H28N2O5S/c1-12-9-14(19(3,4)5)10-13(2)17(12)27(24,25)21-8-7-20-18(23)15(21)11-16(22)26-6/h9-10,15H,7-8,11H2,1-6H3,(H,20,23)/t15-/m1/s1