(2S)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[[5-(4-morpholinylsulfonyl)-1,3-benzoxazol-2-yl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)thio]-N-propyl-propionamide Formula: C17H23N3O5S2 MolecularWeight: 413.51162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H23N3O5S2/c1-3-6-18-16(21)12(2)26-17-19-14-11-13(4-5-15(14)25-17)27(22,23)20-7-9-24-10-8-20/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,21)/t12-/m0/s1