4-methoxy-3-(3-methylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 4-methoxy-3-[(3-methyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 4-methoxy-3-(3-methylmorpholino)sulfonyl-benzoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C13H17NO6S/c1-9-8-20-6-5-14(9)21(17,18)12-7-10(13(15)16)3-4-11(12)19-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,16)