4-[(2-methoxycarbonylphenyl)amino]butane-1-sulfonic acid

Systemtic Name: 4-[(2-methoxycarbonylphenyl)amino]butane-1-sulfonic acid Openeye Name: 4-(2-methoxycarbonylanilino)butane-1-sulfonic acid CAS Name: 4-(2-methoxycarbonylanilino)-1-butanesulfonic acid IUPAC Name: 4-(2-methoxycarbonylanilino)butane-1-sulfonic acid Traditional Name: 4-(2-carbomethoxyanilino)butane-1-sulfonic acid Formula: C12H17NO5S MolecularWeight: 287.33208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NCCCCS(=O)(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NCCCCS(=O)(=O)O

InChI

InChI=1S/C12H17NO5S/c1-18-12(14)10-6-2-3-7-11(10)13-8-4-5-9-19(15,16)17/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,15,16,17)