2-[[(E)-but-2-enoyl]amino]-2-phenyl-propane-1-sulfonic acid

Systemtic Name: 2-[[(E)-but-2-enoyl]amino]-2-phenyl-propane-1-sulfonic acid Openeye Name: 2-[[(E)-but-2-enoyl]amino]-2-phenyl-propane-1-sulfonic acid CAS Name: 2-[[(E)-1-oxobut-2-enyl]amino]-2-phenyl-1-propanesulfonic acid IUPAC Name: 2-[[(E)-but-2-enoyl]amino]-2-phenylpropane-1-sulfonic acid Traditional Name: 2-[[(E)-but-2-enoyl]amino]-2-phenyl-propane-1-sulfonic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-3-7-12(15)14-13(2,10-19(16,17)18)11-8-5-4-6-9-11/h3-9H,10H2,1-2H3,(H,14,15)(H,16,17,18)/b7-3+