3-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[[2-(2-methylanilino)-2-oxo-ethyl]-propyl-ammonio]propane-1-sulfonate CAS Name: 3-[[2-(2-methylanilino)-2-oxoethyl]-propylammonio]-1-propanesulfonate IUPAC Name: 3-[[2-(2-methylanilino)-2-oxoethyl]-propylazaniumyl]propane-1-sulfonate Traditional Name: 3-[[2-keto-2-(o-toluidino)ethyl]-propyl-ammonio]propane-1-sulfonate Formula: C15H24N2O4S MolecularWeight: 328.42706

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCCS(=O)(=O)[O-])CC(=O)NC1=CC=CC=C1C

Isomeric SMILES

CCC[NH+](CCCS(=O)(=O)[O-])CC(=O)NC1=CC=CC=C1C

InChI

InChI=1S/C15H24N2O4S/c1-3-9-17(10-6-11-22(19,20)21)12-15(18)16-14-8-5-4-7-13(14)2/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,16,18)(H,19,20,21)