sodium 3-methyl-4-[4-(prop-2-enoylamino)butoxy]benzenesulfonate

Systemtic Name: sodium 3-methyl-4-[4-(prop-2-enoylamino)butoxy]benzenesulfonate Openeye Name: sodium 3-methyl-4-[4-(prop-2-enoylamino)butoxy]benzenesulfonate CAS Name: sodium 3-methyl-4-[4-(1-oxoprop-2-enylamino)butoxy]benzenesulfonate IUPAC Name: sodium 3-methyl-4-[4-(prop-2-enoylamino)butoxy]benzenesulfonate Traditional Name: sodium 4-(4-acrylamidobutoxy)-3-methyl-besylate Formula: C14H18NNaO5S MolecularWeight: 335.35119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])OCCCCNC(=O)C=C.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])OCCCCNC(=O)C=C.[Na+]

InChI

InChI=1S/C14H19NO5S.Na/c1-3-14(16)15-8-4-5-9-20-13-7-6-12(10-11(13)2)21(17,18)19;/h3,6-7,10H,1,4-5,8-9H2,2H3,(H,15,16)(H,17,18,19);/q;+1/p-1