3-[(2,4-dimethoxy-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(2,4-dimethoxy-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(2,4-dimethoxy-5-morpholinosulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-[[[2,4-dimethoxy-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2,4-dimethoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(2,4-dimethoxy-5-morpholinosulfonyl-benzoyl)amino]benzoic acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C20H22N2O8S/c1-28-16-12-17(29-2)18(31(26,27)22-6-8-30-9-7-22)11-15(16)19(23)21-14-5-3-4-13(10-14)20(24)25/h3-5,10-12H,6-9H2,1-2H3,(H,21,23)(H,24,25)