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

Systemtic Name: N-[2-(morpholin-4-ylcarbonylamino)-3-[(2-nitrophenyl)methylsulfonyl]propanoyl]-N-pentyl-1,3-benzoxazole-2-carboxamide Openeye Name: N-[2-(morpholine-4-carbonylamino)-3-[(2-nitrophenyl)methylsulfonyl]propanoyl]-N-pentyl-1,3-benzoxazole-2-carboxamide CAS Name: N-[2-[[4-morpholinyl(oxo)methyl]amino]-3-[(2-nitrophenyl)methylsulfonyl]-1-oxopropyl]-N-pentyl-1,3-benzoxazole-2-carboxamide IUPAC Name: N-[2-(morpholine-4-carbonylamino)-3-[(2-nitrophenyl)methylsulfonyl]propanoyl]-N-pentyl-1,3-benzoxazole-2-carboxamide Traditional Name: N-amyl-N-[2-(morpholine-4-carbonylamino)-3-(2-nitrobenzyl)sulfonyl-propanoyl]-1,3-benzoxazole-2-carboxamide Formula: C28H33N5O9S MolecularWeight: 615.65472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])NC(=O)N4CCOCC4

Isomeric SMILES

CCCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])NC(=O)N4CCOCC4

InChI

InChI=1S/C28H33N5O9S/c1-2-3-8-13-32(27(35)25-29-21-10-5-7-12-24(21)42-25)26(34)22(30-28(36)31-14-16-41-17-15-31)19-43(39,40)18-20-9-4-6-11-23(20)33(37)38/h4-7,9-12,22H,2-3,8,13-19H2,1H3,(H,30,36)