methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-3-(5-oxidanylpentylsulfanyl)butanoate

Systemtic Name: methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-3-(5-oxidanylpentylsulfanyl)butanoate Openeye Name: methyl (2S)-3-(5-hydroxypentylsulfanyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-3-(5-hydroxypentylthio)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-3-(5-hydroxypentylsulfanyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-3-(5-hydroxypentylthio)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C18H29NO6S2 MolecularWeight: 419.55596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)OC)SCCCCCO

Isomeric SMILES

CC(C)([C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)OC)SCCCCCO

InChI

InChI=1S/C18H29NO6S2/c1-18(2,26-13-7-5-6-12-20)16(17(21)25-4)19-27(22,23)15-10-8-14(24-3)9-11-15/h8-11,16,19-20H,5-7,12-13H2,1-4H3/t16-/m0/s1