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

Systemtic Name: 2-methoxy-5-[[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]methyl]benzoic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H24N2O7S/c1-14-3-5-16(31(27,28)23-7-9-30-10-8-23)12-17(14)20(24)22-13-15-4-6-19(29-2)18(11-15)21(25)26/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)(H,25,26)