5-[[[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[3-(2,6-dimethylmorpholino)sulfonylbenzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H26N2O7S/c1-14-12-24(13-15(2)31-14)32(28,29)18-6-4-5-17(10-18)21(25)23-11-16-7-8-20(30-3)19(9-16)22(26)27/h4-10,14-15H,11-13H2,1-3H3,(H,23,25)(H,26,27)