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

Systemtic Name: 3-methyl-4-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-methyl-4-[[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H22N2O6S/c1-13-3-5-16(29(26,27)22-7-9-28-10-8-22)12-17(13)19(23)21-18-6-4-15(20(24)25)11-14(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)(H,24,25)