N-butyl-N-[2-(morpholin-4-ylcarbonylamino)-3-(phenylmethyl)sulfonyl-propanoyl]-1,3-benzoxazole-2-carboxamide

Systemtic Name: N-butyl-N-[2-(morpholin-4-ylcarbonylamino)-3-(phenylmethyl)sulfonyl-propanoyl]-1,3-benzoxazole-2-carboxamide Openeye Name: N-[3-benzylsulfonyl-2-(morpholine-4-carbonylamino)propanoyl]-N-butyl-1,3-benzoxazole-2-carboxamide CAS Name: N-butyl-N-[2-[[4-morpholinyl(oxo)methyl]amino]-1-oxo-3-(phenylmethyl)sulfonylpropyl]-1,3-benzoxazole-2-carboxamide IUPAC Name: N-[3-benzylsulfonyl-2-(morpholine-4-carbonylamino)propanoyl]-N-butyl-1,3-benzoxazole-2-carboxamide Traditional Name: N-[3-benzylsulfonyl-2-(morpholine-4-carbonylamino)propanoyl]-N-butyl-1,3-benzoxazole-2-carboxamide Formula: C27H32N4O7S MolecularWeight: 556.63058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=C3)NC(=O)N4CCOCC4

Isomeric SMILES

CCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=C3)NC(=O)N4CCOCC4

InChI

InChI=1S/C27H32N4O7S/c1-2-3-13-31(26(33)24-28-21-11-7-8-12-23(21)38-24)25(32)22(29-27(34)30-14-16-37-17-15-30)19-39(35,36)18-20-9-5-4-6-10-20/h4-12,22H,2-3,13-19H2,1H3,(H,29,34)