4-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-ammonio]butane-1-sulfonate CAS Name: 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylammonio]-1-butanesulfonate IUPAC Name: 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazaniumyl]butane-1-sulfonate Traditional Name: 4-[[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-ammonio]butane-1-sulfonate Formula: C15H24N2O4S MolecularWeight: 328.42706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O4S/c1-12-7-6-8-13(2)15(12)16-14(18)11-17(3)9-4-5-10-22(19,20)21/h6-8H,4-5,9-11H2,1-3H3,(H,16,18)(H,19,20,21)