3-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-amino]propane-1-sulfonic acid CAS Name: 3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-1-propanesulfonic acid IUPAC Name: 3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propane-1-sulfonic acid Traditional Name: 3-[[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-amino]propane-1-sulfonic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)CCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)CCCS(=O)(=O)O

InChI

InChI=1S/C14H22N2O4S/c1-11-6-4-7-12(2)14(11)15-13(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)