4-[4-methyl-2-(11-propan-2-ylsulfonylundecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[4-methyl-2-(11-propan-2-ylsulfonylundecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(11-isopropylsulfonylundecanoylamino)-4-methyl-phenoxy]butanoic acid CAS Name: 4-[4-methyl-2-[(1-oxo-11-propan-2-ylsulfonylundecyl)amino]phenoxy]butanoic acid IUPAC Name: 4-[4-methyl-2-(11-propan-2-ylsulfonylundecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-(11-isopropylsulfonylundecanoylamino)-4-methyl-phenoxy]butyric acid Formula: C25H41NO6S MolecularWeight: 483.66114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCS(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCS(=O)(=O)C(C)C

InChI

InChI=1S/C25H41NO6S/c1-20(2)33(30,31)18-11-9-7-5-4-6-8-10-13-24(27)26-22-19-21(3)15-16-23(22)32-17-12-14-25(28)29/h15-16,19-20H,4-14,17-18H2,1-3H3,(H,26,27)(H,28,29)