3-[(3-aminocarbonyl-6-methylsulfonyl-quinolin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(3-aminocarbonyl-6-methylsulfonyl-quinolin-4-yl)amino]benzoic acid Openeye Name: 3-[(3-carbamoyl-6-methylsulfonyl-4-quinolyl)amino]benzoic acid CAS Name: 3-[(3-carbamoyl-6-methylsulfonyl-4-quinolinyl)amino]benzoic acid IUPAC Name: 3-[(3-carbamoyl-6-methylsulfonylquinolin-4-yl)amino]benzoic acid Traditional Name: 3-[(3-carbamoyl-6-mesyl-4-quinolyl)amino]benzoic acid Formula: C18H15N3O5S MolecularWeight: 385.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)N)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)N)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H15N3O5S/c1-27(25,26)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(7-11)18(23)24/h2-9H,1H3,(H2,19,22)(H,20,21)(H,23,24)