3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid CAS Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butyric acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC(C)CC(=O)O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC(C)CC(=O)O)C)C

InChI

InChI=1S/C15H23NO4S/c1-8(7-14(17)18)16-21(19,20)15-12(5)10(3)9(2)11(4)13(15)6/h8,16H,7H2,1-6H3,(H,17,18)