(2S)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]thio]-N-(5-quinolyl)propionamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H20N4O4S2/c1-13(20(26)23-17-8-4-7-16-15(17)6-5-11-22-16)30-21-24-18-12-14(9-10-19(18)29-21)31(27,28)25(2)3/h4-13H,1-3H3,(H,23,26)/t13-/m0/s1