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

Systemtic Name: 3-[methyl(phenyl)amino]propane-1-sulfonate Openeye Name: 3-(N-methylanilino)propane-1-sulfonate CAS Name: 3-(N-methylanilino)-1-propanesulfonate IUPAC Name: 3-(N-methylanilino)propane-1-sulfonate Traditional Name: 3-(N-methylanilino)propane-1-sulfonate Formula: C10H14NO3S- MolecularWeight: 228.28806

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCS(=O)(=O)[O-])C1=CC=CC=C1

Isomeric SMILES

CN(CCCS(=O)(=O)[O-])C1=CC=CC=C1

InChI

InChI=1S/C10H15NO3S/c1-11(8-5-9-15(12,13)14)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,12,13,14)/p-1