sodium [(4-butoxyphenyl)-methyl-amino]methanesulfonate

Systemtic Name: sodium [(4-butoxyphenyl)-methyl-amino]methanesulfonate Openeye Name: sodium (4-butoxy-N-methyl-anilino)methanesulfonate CAS Name: sodium (4-butoxy-N-methylanilino)methanesulfonate IUPAC Name: sodium (4-butoxy-N-methylanilino)methanesulfonate Traditional Name: sodium (4-butoxy-N-methyl-anilino)methanesulfonate Formula: C12H18NNaO4S MolecularWeight: 295.33039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(C)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H19NO4S.Na/c1-3-4-9-17-12-7-5-11(6-8-12)13(2)10-18(14,15)16;/h5-8H,3-4,9-10H2,1-2H3,(H,14,15,16);/q;+1/p-1