2-[(3-cyanophenyl)methylsulfonylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methylsulfonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(3-cyanophenyl)methylsulfonylamino]-3,3-dimethyl-butanoic acid CAS Name: 2-[(3-cyanophenyl)methylsulfonylamino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(3-cyanophenyl)methylsulfonylamino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(3-cyanobenzyl)sulfonylamino]-3,3-dimethyl-butyric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NS(=O)(=O)CC1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)(C)C(C(=O)O)NS(=O)(=O)CC1=CC=CC(=C1)C#N

InChI

InChI=1S/C14H18N2O4S/c1-14(2,3)12(13(17)18)16-21(19,20)9-11-6-4-5-10(7-11)8-15/h4-7,12,16H,9H2,1-3H3,(H,17,18)