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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCOCC3

InChI

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