3-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[[2-(2,3-dimethylanilino)-2-oxo-ethyl]-methyl-ammonio]propane-1-sulfonate CAS Name: 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylammonio]-1-propanesulfonate IUPAC Name: 3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazaniumyl]propane-1-sulfonate Traditional Name: 3-[[2-(2,3-dimethylanilino)-2-keto-ethyl]-methyl-ammonio]propane-1-sulfonate Formula: C14H22N2O4S MolecularWeight: 314.40048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+](C)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C14H22N2O4S/c1-11-6-4-7-13(12(11)2)15-14(17)10-16(3)8-5-9-21(18,19)20/h4,6-7H,5,8-10H2,1-3H3,(H,15,17)(H,18,19,20)