4-[(2-methylquinolin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(2-methylquinolin-4-yl)amino]benzenesulfonic acid Openeye Name: 4-[(2-methyl-4-quinolyl)amino]benzenesulfonic acid CAS Name: 4-[(2-methyl-4-quinolinyl)amino]benzenesulfonic acid IUPAC Name: 4-[(2-methylquinolin-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[(2-methyl-4-quinolyl)amino]besylic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H14N2O3S/c1-11-10-16(14-4-2-3-5-15(14)17-11)18-12-6-8-13(9-7-12)22(19,20)21/h2-10H,1H3,(H,17,18)(H,19,20,21)