4-[2-[9-(2-methylpropylsulfonyl)nonanoylamino]phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-[9-(2-methylpropylsulfonyl)nonanoylamino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(9-isobutylsulfonylnonanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[9-(2-methylpropylsulfonyl)-1-oxononyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-[9-(2-methylpropylsulfonyl)nonanoylamino]phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(9-isobutylsulfonylnonanoylamino)phenyl]thio]butyric acid Formula: C23H37NO5S2 MolecularWeight: 471.67358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)CCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CC(C)CS(=O)(=O)CCCCCCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C23H37NO5S2/c1-19(2)18-31(28,29)17-10-6-4-3-5-7-14-22(25)24-20-12-8-9-13-21(20)30-16-11-15-23(26)27/h8-9,12-13,19H,3-7,10-11,14-18H2,1-2H3,(H,24,25)(H,26,27)