4-[5-azanyl-3-methyl-2-(11-sulfinoundecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[5-azanyl-3-methyl-2-(11-sulfinoundecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[5-amino-3-methyl-2-(11-sulfinoundecanoylamino)phenoxy]butanoic acid CAS Name: 4-[5-amino-3-methyl-2-[(1-oxo-11-sulfinoundecyl)amino]phenoxy]butanoic acid IUPAC Name: 4-[5-amino-3-methyl-2-(11-sulfinoundecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[5-amino-3-methyl-2-(11-sulfinoundecanoylamino)phenoxy]butyric acid Formula: C22H36N2O6S MolecularWeight: 456.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CCCCCCCCCCS(=O)O)OCCCC(=O)O)N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CCCCCCCCCCS(=O)O)OCCCC(=O)O)N

InChI

InChI=1S/C22H36N2O6S/c1-17-15-18(23)16-19(30-13-10-12-21(26)27)22(17)24-20(25)11-8-6-4-2-3-5-7-9-14-31(28)29/h15-16H,2-14,23H2,1H3,(H,24,25)(H,26,27)(H,28,29)