3-[(4,5-dimethyl-2-propoxy-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(4,5-dimethyl-2-propoxy-phenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(4,5-dimethyl-2-propoxy-phenyl)sulfonylamino]benzoic acid CAS Name: 3-[(4,5-dimethyl-2-propoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(4,5-dimethyl-2-propoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(4,5-dimethyl-2-propoxy-phenyl)sulfonylamino]benzoic acid Formula: C18H21NO5S MolecularWeight: 363.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H21NO5S/c1-4-8-24-16-9-12(2)13(3)10-17(16)25(22,23)19-15-7-5-6-14(11-15)18(20)21/h5-7,9-11,19H,4,8H2,1-3H3,(H,20,21)