methyl (Z)-6-[1-[4-(2,2-dimethyl-1-oxidanyl-propyl)phenyl]-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]hex-4-ene-1-sulfonate

Systemtic Name: methyl (Z)-6-[1-[4-(2,2-dimethyl-1-oxidanyl-propyl)phenyl]-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]hex-4-ene-1-sulfonate Openeye Name: methyl (Z)-6-[3-hydroxy-1-[4-(1-hydroxy-2,2-dimethyl-propyl)phenyl]-5-oxo-pyrrolidin-2-yl]hex-4-ene-1-sulfonate CAS Name: (Z)-6-[3-hydroxy-1-[4-(1-hydroxy-2,2-dimethylpropyl)phenyl]-5-oxo-2-pyrrolidinyl]-4-hexene-1-sulfonic acid methyl ester IUPAC Name: methyl (Z)-6-[3-hydroxy-1-[4-(1-hydroxy-2,2-dimethylpropyl)phenyl]-5-oxopyrrolidin-2-yl]hex-4-ene-1-sulfonate Traditional Name: (Z)-6-[3-hydroxy-1-[4-(1-hydroxy-2,2-dimethyl-propyl)phenyl]-5-keto-pyrrolidin-2-yl]hex-4-ene-1-sulfonic acid methyl ester Formula: C22H33NO6S MolecularWeight: 439.56552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC=C(C=C1)N2C(C(CC2=O)O)CC=CCCCS(=O)(=O)OC)O

Isomeric SMILES

CC(C)(C)C(C1=CC=C(C=C1)N2C(C(CC2=O)O)C/C=C\CCCS(=O)(=O)OC)O

InChI

InChI=1S/C22H33NO6S/c1-22(2,3)21(26)16-10-12-17(13-11-16)23-18(19(24)15-20(23)25)9-7-5-6-8-14-30(27,28)29-4/h5,7,10-13,18-19,21,24,26H,6,8-9,14-15H2,1-4H3/b7-5-