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

Systemtic Name: methyl (2S)-3-methyl-3-(3-oxidanylpropylsulfanyl)-2-[(4-phenoxyphenyl)sulfonylamino]butanoate Openeye Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoate CAS Name: (2S)-3-(3-hydroxypropylthio)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-(3-hydroxypropylthio)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butyric acid methyl ester Formula: C21H27NO6S2 MolecularWeight: 453.57218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S2/c1-21(2,29-15-7-14-23)19(20(24)27-3)22-30(25,26)18-12-10-17(11-13-18)28-16-8-5-4-6-9-16/h4-6,8-13,19,22-23H,7,14-15H2,1-3H3/t19-/m0/s1