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

Systemtic Name: methyl (2S)-3-methyl-3-(3-oxidanylpropylsulfanyl)-2-[(4-pyridin-4-yloxyphenyl)sulfonylamino]butanoate Openeye Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-3-methyl-2-[[4-(4-pyridyloxy)phenyl]sulfonylamino]butanoate CAS Name: (2S)-3-(3-hydroxypropylthio)-3-methyl-2-[(4-pyridin-4-yloxyphenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-3-methyl-2-[(4-pyridin-4-yloxyphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-(3-hydroxypropylthio)-3-methyl-2-[[4-(4-pyridyloxy)phenyl]sulfonylamino]butyric acid methyl ester Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=NC=C2)SCCCO

Isomeric SMILES

CC(C)([C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=NC=C2)SCCCO

InChI

InChI=1S/C20H26N2O6S2/c1-20(2,29-14-4-13-23)18(19(24)27-3)22-30(25,26)17-7-5-15(6-8-17)28-16-9-11-21-12-10-16/h5-12,18,22-23H,4,13-14H2,1-3H3/t18-/m0/s1