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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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