sodium 2-[(2-ethyl-6-methyl-phenyl)-[(2S)-1-methoxypropan-2-yl]amino]-2-oxidanylidene-ethanesulfonate

Systemtic Name: sodium 2-[(2-ethyl-6-methyl-phenyl)-[(2S)-1-methoxypropan-2-yl]amino]-2-oxidanylidene-ethanesulfonate Openeye Name: sodium 2-(2-ethyl-N-[(1S)-2-methoxy-1-methyl-ethyl]-6-methyl-anilino)-2-oxo-ethanesulfonate CAS Name: sodium 2-(2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylanilino)-2-oxoethanesulfonate IUPAC Name: sodium 2-(2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylanilino)-2-oxoethanesulfonate Traditional Name: sodium 2-(2-ethyl-N-[(1S)-2-methoxy-1-methyl-ethyl]-6-methyl-anilino)-2-keto-ethanesulfonate Formula: C15H22NNaO5S MolecularWeight: 351.39365

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(C(C)COC)C(=O)CS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCC1=CC=CC(=C1N([C@@H](C)COC)C(=O)CS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C15H23NO5S.Na/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20;/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20);/q;+1/p-1/t12-;/m0./s1