2-methoxy-5-[[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2-methoxy-5-morpholinosulfonyl-benzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(2-methoxy-5-morpholinosulfonyl-benzoyl)amino]methyl]benzoic acid Formula: C21H24N2O8S MolecularWeight: 464.48886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)C(=O)O

InChI

InChI=1S/C21H24N2O8S/c1-29-18-6-4-15(32(27,28)23-7-9-31-10-8-23)12-16(18)20(24)22-13-14-3-5-19(30-2)17(11-14)21(25)26/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)(H,25,26)