4-[(4-methylphenyl)amino]quinoline-3-sulfonic acid

Systemtic Name: 4-[(4-methylphenyl)amino]quinoline-3-sulfonic acid Openeye Name: 4-(4-methylanilino)quinoline-3-sulfonic acid CAS Name: 4-(4-methylanilino)-3-quinolinesulfonic acid IUPAC Name: 4-(4-methylanilino)quinoline-3-sulfonic acid Traditional Name: 4-(p-toluidino)quinoline-3-sulfonic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=NC3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=NC3=CC=CC=C32)S(=O)(=O)O

InChI

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