2-[(4-azanyl-3-methyl-phenyl)amino]butane-2-sulfonic acid

Systemtic Name: 2-[(4-azanyl-3-methyl-phenyl)amino]butane-2-sulfonic acid Openeye Name: 2-(4-amino-3-methyl-anilino)butane-2-sulfonic acid CAS Name: 2-(4-amino-3-methylanilino)-2-butanesulfonic acid IUPAC Name: 2-(4-amino-3-methylanilino)butane-2-sulfonic acid Traditional Name: 2-(4-amino-3-methyl-anilino)butane-2-sulfonic acid Formula: C11H18N2O3S MolecularWeight: 258.33722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(NC1=CC(=C(C=C1)N)C)S(=O)(=O)O

Isomeric SMILES

CCC(C)(NC1=CC(=C(C=C1)N)C)S(=O)(=O)O

InChI

InChI=1S/C11H18N2O3S/c1-4-11(3,17(14,15)16)13-9-5-6-10(12)8(2)7-9/h5-7,13H,4,12H2,1-3H3,(H,14,15,16)