N-methylaniline; 1-(2-methylprop-2-enoylamino)propane-1-sulfonic acid

Systemtic Name: N-methylaniline; 1-(2-methylprop-2-enoylamino)propane-1-sulfonic acid Openeye Name: N-methylaniline; 1-(2-methylprop-2-enoylamino)propane-1-sulfonic acid CAS Name: N-methylaniline; 1-[(2-methyl-1-oxoprop-2-enyl)amino]-1-propanesulfonic acid IUPAC Name: N-methylaniline; 1-(2-methylprop-2-enoylamino)propane-1-sulfonic acid Traditional Name: 1-methacrylamidopropane-1-sulfonic acid; methyl(phenyl)amine Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C(=C)C)S(=O)(=O)O.CNC1=CC=CC=C1

Isomeric SMILES

CCC(NC(=O)C(=C)C)S(=O)(=O)O.CNC1=CC=CC=C1

InChI

InChI=1S/C7H13NO4S.C7H9N/c1-4-6(13(10,11)12)8-7(9)5(2)3;1-8-7-5-3-2-4-6-7/h6H,2,4H2,1,3H3,(H,8,9)(H,10,11,12);2-6,8H,1H3