4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzenesulfonic acid Openeye Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzenesulfonic acid CAS Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]benzenesulfonic acid IUPAC Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzenesulfonic acid Traditional Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]besylic acid Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-24-22-25-12-19-17(14-4-3-5-15(23)10-14)11-18(21(30-2)20(19)26-22)13-6-8-16(9-7-13)31(27,28)29/h3-12H,1-2H3,(H,24,25,26)(H,27,28,29)