3-aminocarbonyl-1-[(4-fluorophenyl)methyl]-4H-quinoline-4-sulfonic acid; sodium

Systemtic Name: 3-aminocarbonyl-1-[(4-fluorophenyl)methyl]-4H-quinoline-4-sulfonic acid; sodium Openeye Name: 3-carbamoyl-1-[(4-fluorophenyl)methyl]-4H-quinoline-4-sulfonic acid; sodium CAS Name: 3-carbamoyl-1-[(4-fluorophenyl)methyl]-4H-quinoline-4-sulfonic acid; sodium IUPAC Name: 3-carbamoyl-1-[(4-fluorophenyl)methyl]-4H-quinoline-4-sulfonic acid; sodium Traditional Name: 3-carbamoyl-1-(4-fluorobenzyl)-4H-quinoline-4-sulfonic acid; sodium Formula: C17H15FN2NaO4S MolecularWeight: 385.365173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=CN2CC3=CC=C(C=C3)F)C(=O)N)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=CN2CC3=CC=C(C=C3)F)C(=O)N)S(=O)(=O)O.[Na]

InChI

InChI=1S/C17H15FN2O4S.Na/c18-12-7-5-11(6-8-12)9-20-10-14(17(19)21)16(25(22,23)24)13-3-1-2-4-15(13)20;/h1-8,10,16H,9H2,(H2,19,21)(H,22,23,24);