(2R)-3-[ethyl-(3-methylphenyl)amino]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: (2R)-3-[ethyl-(3-methylphenyl)amino]-2-oxidanyl-propane-1-sulfonate Openeye Name: (2R)-3-(N-ethyl-3-methyl-anilino)-2-hydroxy-propane-1-sulfonate CAS Name: (2R)-3-(N-ethyl-3-methylanilino)-2-hydroxy-1-propanesulfonate IUPAC Name: (2R)-3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonate Traditional Name: (2R)-3-(N-ethyl-3-methyl-anilino)-2-hydroxy-propane-1-sulfonate Formula: C12H18NO4S- MolecularWeight: 272.34062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CS(=O)(=O)[O-])O)C1=CC=CC(=C1)C

Isomeric SMILES

CCN(C[C@H](CS(=O)(=O)[O-])O)C1=CC=CC(=C1)C

InChI

InChI=1S/C12H19NO4S/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17)/p-1/t12-/m1/s1