(2S)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(3-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-N-(3-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[[2-(2-furanyl)-4-quinazolinyl]thio]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(3-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[[2-(2-furyl)quinazolin-4-yl]thio]-N-(3-sulfamoylphenyl)propionamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C21H18N4O4S2/c1-13(20(26)23-14-6-4-7-15(12-14)31(22,27)28)30-21-16-8-2-3-9-17(16)24-19(25-21)18-10-5-11-29-18/h2-13H,1H3,(H,23,26)(H2,22,27,28)/t13-/m0/s1