methyl (2S)-2-[(4-butoxyphenyl)sulfonylamino]-3-methyl-3-(3-oxidanylpropylsulfanyl)butanoate

Systemtic Name: methyl (2S)-2-[(4-butoxyphenyl)sulfonylamino]-3-methyl-3-(3-oxidanylpropylsulfanyl)butanoate Openeye Name: methyl (2S)-2-[(4-butoxyphenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)-3-methyl-butanoate CAS Name: (2S)-2-[(4-butoxyphenyl)sulfonylamino]-3-(3-hydroxypropylthio)-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-butoxyphenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)-3-methylbutanoate Traditional Name: (2S)-2-[(4-butoxyphenyl)sulfonylamino]-3-(3-hydroxypropylthio)-3-methyl-butyric acid methyl ester Formula: C19H31NO6S2 MolecularWeight: 433.58254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)OC)C(C)(C)SCCCO

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(=O)OC)C(C)(C)SCCCO

InChI

InChI=1S/C19H31NO6S2/c1-5-6-13-26-15-8-10-16(11-9-15)28(23,24)20-17(18(22)25-4)19(2,3)27-14-7-12-21/h8-11,17,20-21H,5-7,12-14H2,1-4H3/t17-/m0/s1