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

Systemtic Name: 2-methoxy-5-[[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(3-morpholinosulfonylbenzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(3-morpholinosulfonylbenzoyl)amino]methyl]benzoic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-28-18-6-5-14(11-17(18)20(24)25)13-21-19(23)15-3-2-4-16(12-15)30(26,27)22-7-9-29-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)(H,24,25)