2,6-dimethyl-2-(prop-2-enoylamino)heptane-3-sulfonic acid

Systemtic Name: 2,6-dimethyl-2-(prop-2-enoylamino)heptane-3-sulfonic acid Openeye Name: 2,6-dimethyl-2-(prop-2-enoylamino)heptane-3-sulfonic acid CAS Name: 2,6-dimethyl-2-(1-oxoprop-2-enylamino)-3-heptanesulfonic acid IUPAC Name: 2,6-dimethyl-2-(prop-2-enoylamino)heptane-3-sulfonic acid Traditional Name: 2-acrylamido-2,6-dimethyl-heptane-3-sulfonic acid Formula: C12H23NO4S MolecularWeight: 277.38032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C)(C)NC(=O)C=C)S(=O)(=O)O

Isomeric SMILES

CC(C)CCC(C(C)(C)NC(=O)C=C)S(=O)(=O)O

InChI

InChI=1S/C12H23NO4S/c1-6-11(14)13-12(4,5)10(18(15,16)17)8-7-9(2)3/h6,9-10H,1,7-8H2,2-5H3,(H,13,14)(H,15,16,17)