benzoic acid; N-(2-methoxyphenyl)-N-(3-morpholin-4-yl-2-oxidanyl-propyl)benzenesulfonamide

Systemtic Name: benzoic acid; N-(2-methoxyphenyl)-N-(3-morpholin-4-yl-2-oxidanyl-propyl)benzenesulfonamide Openeye Name: benzoic acid; N-(2-hydroxy-3-morpholino-propyl)-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: benzoic acid; N-[2-hydroxy-3-(4-morpholinyl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: benzoic acid; N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: benzoic acid; N-(2-hydroxy-3-morpholino-propyl)-N-(2-methoxyphenyl)benzenesulfonamide Formula: C27H32N2O7S MolecularWeight: 528.61718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(CN2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N(CC(CN2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C20H26N2O5S.C7H6O2/c1-26-20-10-6-5-9-19(20)22(28(24,25)18-7-3-2-4-8-18)16-17(23)15-21-11-13-27-14-12-21;8-7(9)6-4-2-1-3-5-6/h2-10,17,23H,11-16H2,1H3;1-5H,(H,8,9)