(2S)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]-N-(4-sulfamoylphenyl)propionamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C22H25N5O4S2/c1-15(21(28)24-16-6-8-17(9-7-16)33(23,29)30)32-22-18-4-2-3-5-19(18)25-20(26-22)14-27-10-12-31-13-11-27/h2-9,15H,10-14H2,1H3,(H,24,28)(H2,23,29,30)/t15-/m0/s1