5-chloranyl-N-(2-chloranyl-4-dodecylsulfonyl-phenyl)-8-oxidanyl-quinazoline-7-carboxamide

Systemtic Name: 5-chloranyl-N-(2-chloranyl-4-dodecylsulfonyl-phenyl)-8-oxidanyl-quinazoline-7-carboxamide Openeye Name: 5-chloro-N-(2-chloro-4-dodecylsulfonyl-phenyl)-8-hydroxy-quinazoline-7-carboxamide CAS Name: 5-chloro-N-(2-chloro-4-dodecylsulfonylphenyl)-8-hydroxy-7-quinazolinecarboxamide IUPAC Name: 5-chloro-N-(2-chloro-4-dodecylsulfonylphenyl)-8-hydroxyquinazoline-7-carboxamide Traditional Name: 5-chloro-N-(2-chloro-4-laurylsulfonyl-phenyl)-8-hydroxy-quinazoline-7-carboxamide Formula: C27H33Cl2N3O4S MolecularWeight: 566.53962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=C3C=NC=NC3=C2O)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC(=O)C2=CC(=C3C=NC=NC3=C2O)Cl)Cl

InChI

InChI=1S/C27H33Cl2N3O4S/c1-2-3-4-5-6-7-8-9-10-11-14-37(35,36)19-12-13-24(23(29)15-19)32-27(34)20-16-22(28)21-17-30-18-31-25(21)26(20)33/h12-13,15-18,33H,2-11,14H2,1H3,(H,32,34)