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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

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