3,3-dimethyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid CAS Name: 3,3-dimethyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid Traditional Name: 3,3-dimethyl-2-[(4-phenoxyphenyl)sulfonylamino]butyric acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5S/c1-18(2,3)16(17(20)21)19-25(22,23)15-11-9-14(10-12-15)24-13-7-5-4-6-8-13/h4-12,16,19H,1-3H3,(H,20,21)