5-[(4-ethoxycarbonylphenyl)amino]pentane-1-sulfonic acid

Systemtic Name: 5-[(4-ethoxycarbonylphenyl)amino]pentane-1-sulfonic acid Openeye Name: 5-(4-ethoxycarbonylanilino)pentane-1-sulfonic acid CAS Name: 5-(4-ethoxycarbonylanilino)-1-pentanesulfonic acid IUPAC Name: 5-(4-ethoxycarbonylanilino)pentane-1-sulfonic acid Traditional Name: 5-(4-carbethoxyanilino)pentane-1-sulfonic acid Formula: C14H21NO5S MolecularWeight: 315.38524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCS(=O)(=O)O

InChI

InChI=1S/C14H21NO5S/c1-2-20-14(16)12-6-8-13(9-7-12)15-10-4-3-5-11-21(17,18)19/h6-9,15H,2-5,10-11H2,1H3,(H,17,18,19)