methyl 1-(4-methoxyphenyl)sulfonyl-4-[(2S)-3-methyl-2-oxidanyl-butanoyl]piperazine-2-carboxylate

Systemtic Name: methyl 1-(4-methoxyphenyl)sulfonyl-4-[(2S)-3-methyl-2-oxidanyl-butanoyl]piperazine-2-carboxylate Openeye Name: methyl 4-[(2S)-2-hydroxy-3-methyl-butanoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 4-[(2S)-2-hydroxy-3-methyl-1-oxobutyl]-1-(4-methoxyphenyl)sulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-hydroxy-3-methylbutanoyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: 4-[(2S)-2-hydroxy-3-methyl-butanoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C18H26N2O7S/c1-12(2)16(21)17(22)19-9-10-20(15(11-19)18(23)27-4)28(24,25)14-7-5-13(26-3)6-8-14/h5-8,12,15-16,21H,9-11H2,1-4H3/t15?,16-/m0/s1