4-[2-(3-propan-2-yl-4-sulfino-phenoxy)ethanoylamino]butanoic acid

Systemtic Name: 4-[2-(3-propan-2-yl-4-sulfino-phenoxy)ethanoylamino]butanoic acid Openeye Name: 4-[[2-(3-isopropyl-4-sulfino-phenoxy)acetyl]amino]butanoic acid CAS Name: 4-[[1-oxo-2-(3-propan-2-yl-4-sulfinophenoxy)ethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3-propan-2-yl-4-sulfinophenoxy)acetyl]amino]butanoic acid Traditional Name: 4-[[2-(3-isopropyl-4-sulfino-phenoxy)acetyl]amino]butyric acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OCC(=O)NCCCC(=O)O)S(=O)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OCC(=O)NCCCC(=O)O)S(=O)O

InChI

InChI=1S/C15H21NO6S/c1-10(2)12-8-11(5-6-13(12)23(20)21)22-9-14(17)16-7-3-4-15(18)19/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)