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

Systemtic Name: 2-methoxy-5-[[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(4-morpholinosulfonylbenzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(4-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=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

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

InChI

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