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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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