1-[(3-methylphenyl)amino]butane-2-sulfonic acid

Systemtic Name: 1-[(3-methylphenyl)amino]butane-2-sulfonic acid Openeye Name: 1-(3-methylanilino)butane-2-sulfonic acid CAS Name: 1-(3-methylanilino)-2-butanesulfonic acid IUPAC Name: 1-(3-methylanilino)butane-2-sulfonic acid Traditional Name: 1-(m-toluidino)butane-2-sulfonic acid Formula: C11H17NO3S MolecularWeight: 243.32258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC=CC(=C1)C)S(=O)(=O)O

Isomeric SMILES

CCC(CNC1=CC=CC(=C1)C)S(=O)(=O)O

InChI

InChI=1S/C11H17NO3S/c1-3-11(16(13,14)15)8-12-10-6-4-5-9(2)7-10/h4-7,11-12H,3,8H2,1-2H3,(H,13,14,15)