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

Systemtic Name: 3-aminocarbonyl-1-[(4-fluorophenyl)methyl]-4H-quinoline-4-sulfonic acid Openeye Name: 3-carbamoyl-1-[(4-fluorophenyl)methyl]-4H-quinoline-4-sulfonic acid CAS Name: 3-carbamoyl-1-[(4-fluorophenyl)methyl]-4H-quinoline-4-sulfonic acid IUPAC Name: 3-carbamoyl-1-[(4-fluorophenyl)methyl]-4H-quinoline-4-sulfonic acid Traditional Name: 3-carbamoyl-1-(4-fluorobenzyl)-4H-quinoline-4-sulfonic acid Formula: C17H15FN2O4S MolecularWeight: 362.375403

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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

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=CN2CC3=CC=C(C=C3)F)C(=O)N)S(=O)(=O)O

InChI

InChI=1S/C17H15FN2O4S/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)