methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-(3-oxidanylpropylsulfanyl)propanoate

Systemtic Name: methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-(3-oxidanylpropylsulfanyl)propanoate Openeye Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: (2S)-3-(3-hydroxypropylthio)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: (2S)-3-(3-hydroxypropylthio)-2-[(4-methoxyphenyl)sulfonylamino]propionic acid methyl ester Formula: C14H21NO6S2 MolecularWeight: 363.44964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CSCCCO)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N[C@H](CSCCCO)C(=O)OC

InChI

InChI=1S/C14H21NO6S2/c1-20-11-4-6-12(7-5-11)23(18,19)15-13(14(17)21-2)10-22-9-3-8-16/h4-7,13,15-16H,3,8-10H2,1-2H3/t13-/m1/s1