4-[(6-chloranylquinazolin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(6-chloranylquinazolin-4-yl)amino]benzenesulfonic acid Openeye Name: 4-[(6-chloroquinazolin-4-yl)amino]benzenesulfonic acid CAS Name: 4-[(6-chloro-4-quinazolinyl)amino]benzenesulfonic acid IUPAC Name: 4-[(6-chloroquinazolin-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[(6-chloroquinazolin-4-yl)amino]besylic acid Formula: C14H10ClN3O3S MolecularWeight: 335.7655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC3=C2C=C(C=C3)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC3=C2C=C(C=C3)Cl)S(=O)(=O)O

InChI

InChI=1S/C14H10ClN3O3S/c15-9-1-6-13-12(7-9)14(17-8-16-13)18-10-2-4-11(5-3-10)22(19,20)21/h1-8H,(H,16,17,18)(H,19,20,21)