sodium 3-[(2-methoxy-3-methyl-phenyl)amino]propane-1-sulfonate

Systemtic Name: sodium 3-[(2-methoxy-3-methyl-phenyl)amino]propane-1-sulfonate Openeye Name: sodium 3-(2-methoxy-3-methyl-anilino)propane-1-sulfonate CAS Name: sodium 3-(2-methoxy-3-methylanilino)-1-propanesulfonate IUPAC Name: sodium 3-(2-methoxy-3-methylanilino)propane-1-sulfonate Traditional Name: sodium 3-(2-methoxy-3-methyl-anilino)propane-1-sulfonate Formula: C11H16NNaO4S MolecularWeight: 281.30381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NCCCS(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)NCCCS(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C11H17NO4S.Na/c1-9-5-3-6-10(11(9)16-2)12-7-4-8-17(13,14)15;/h3,5-6,12H,4,7-8H2,1-2H3,(H,13,14,15);/q;+1/p-1