N-[3-[(2-methylphenyl)methylsulfonyl]-2-(morpholin-4-ylcarbonylamino)propanoyl]-N-pentyl-1,3-benzoxazole-2-carboxamide

Systemtic Name: N-[3-[(2-methylphenyl)methylsulfonyl]-2-(morpholin-4-ylcarbonylamino)propanoyl]-N-pentyl-1,3-benzoxazole-2-carboxamide Openeye Name: N-[2-(morpholine-4-carbonylamino)-3-(o-tolylmethylsulfonyl)propanoyl]-N-pentyl-1,3-benzoxazole-2-carboxamide CAS Name: N-[3-[(2-methylphenyl)methylsulfonyl]-2-[[4-morpholinyl(oxo)methyl]amino]-1-oxopropyl]-N-pentyl-1,3-benzoxazole-2-carboxamide IUPAC Name: N-[3-[(2-methylphenyl)methylsulfonyl]-2-(morpholine-4-carbonylamino)propanoyl]-N-pentyl-1,3-benzoxazole-2-carboxamide Traditional Name: N-amyl-N-[3-(2-methylbenzyl)sulfonyl-2-(morpholine-4-carbonylamino)propanoyl]-1,3-benzoxazole-2-carboxamide Formula: C29H36N4O7S MolecularWeight: 584.68374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=C3C)NC(=O)N4CCOCC4

Isomeric SMILES

CCCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=C3C)NC(=O)N4CCOCC4

InChI

InChI=1S/C29H36N4O7S/c1-3-4-9-14-33(28(35)26-30-23-12-7-8-13-25(23)40-26)27(34)24(31-29(36)32-15-17-39-18-16-32)20-41(37,38)19-22-11-6-5-10-21(22)2/h5-8,10-13,24H,3-4,9,14-20H2,1-2H3,(H,31,36)