2-(2,2-dimethylpropanoylamino)-3-phenyl-propane-1-sulfonic acid

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-3-phenyl-propane-1-sulfonic acid Openeye Name: 2-(2,2-dimethylpropanoylamino)-3-phenyl-propane-1-sulfonic acid CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-3-phenyl-1-propanesulfonic acid IUPAC Name: 2-(2,2-dimethylpropanoylamino)-3-phenylpropane-1-sulfonic acid Traditional Name: 3-phenyl-2-(pivaloylamino)propane-1-sulfonic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CC1=CC=CC=C1)CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC(CC1=CC=CC=C1)CS(=O)(=O)O

InChI

InChI=1S/C14H21NO4S/c1-14(2,3)13(16)15-12(10-20(17,18)19)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,16)(H,17,18,19)