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

Systemtic Name: 5-methoxy-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 5-methoxy-2-[(3-morpholinosulfonylbenzoyl)amino]benzoic acid CAS Name: 5-methoxy-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 5-methoxy-2-[(3-morpholinosulfonylbenzoyl)amino]benzoic acid Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-27-14-5-6-17(16(12-14)19(23)24)20-18(22)13-3-2-4-15(11-13)29(25,26)21-7-9-28-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)(H,23,24)