2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3-morpholinosulfonylphenyl)methylsulfanyl]benzoic acid CAS Name: 2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]benzoic acid IUPAC Name: 2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3-morpholinosulfonylbenzyl)thio]benzoic acid Formula: C18H19NO5S2 MolecularWeight: 393.47716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H19NO5S2/c20-18(21)16-6-1-2-7-17(16)25-13-14-4-3-5-15(12-14)26(22,23)19-8-10-24-11-9-19/h1-7,12H,8-11,13H2,(H,20,21)