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

Systemtic Name: 3-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-[[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]benzoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c1-13-5-6-16(28(25,26)21-7-9-27-10-8-21)12-17(13)18(22)20-15-4-2-3-14(11-15)19(23)24/h2-6,11-12H,7-10H2,1H3,(H,20,22)(H,23,24)