3-[(3-methylphenyl)amino]-2-oxidanyl-pentane-3-sulfonic acid

Systemtic Name: 3-[(3-methylphenyl)amino]-2-oxidanyl-pentane-3-sulfonic acid Openeye Name: 2-hydroxy-3-(3-methylanilino)pentane-3-sulfonic acid CAS Name: 2-hydroxy-3-(3-methylanilino)-3-pentanesulfonic acid IUPAC Name: 2-hydroxy-3-(3-methylanilino)pentane-3-sulfonic acid Traditional Name: 2-hydroxy-3-(m-toluidino)pentane-3-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4S/c1-4-12(10(3)14,18(15,16)17)13-11-7-5-6-9(2)8-11/h5-8,10,13-14H,4H2,1-3H3,(H,15,16,17)