N-butyl-N-[2-(morpholin-4-ylcarbonylamino)-3-[(1-oxidanidylpyridin-1-ium-2-yl)methylsulfonyl]propanoyl]-1,3-benzoxazole-2-carboxamide

Systemtic Name: N-butyl-N-[2-(morpholin-4-ylcarbonylamino)-3-[(1-oxidanidylpyridin-1-ium-2-yl)methylsulfonyl]propanoyl]-1,3-benzoxazole-2-carboxamide Openeye Name: N-butyl-N-[2-(morpholine-4-carbonylamino)-3-[(1-oxidopyridin-1-ium-2-yl)methylsulfonyl]propanoyl]-1,3-benzoxazole-2-carboxamide CAS Name: N-butyl-N-[2-[[4-morpholinyl(oxo)methyl]amino]-3-[(1-oxido-2-pyridin-1-iumyl)methylsulfonyl]-1-oxopropyl]-1,3-benzoxazole-2-carboxamide IUPAC Name: N-butyl-N-[2-(morpholine-4-carbonylamino)-3-[(1-oxidopyridin-1-ium-2-yl)methylsulfonyl]propanoyl]-1,3-benzoxazole-2-carboxamide Traditional Name: N-butyl-N-[2-(morpholine-4-carbonylamino)-3-[(1-oxidopyridin-1-ium-2-yl)methylsulfonyl]propanoyl]-1,3-benzoxazole-2-carboxamide Formula: C26H31N5O8S MolecularWeight: 573.61804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=[N+]3[O-])NC(=O)N4CCOCC4

Isomeric SMILES

CCCCN(C(=O)C1=NC2=CC=CC=C2O1)C(=O)C(CS(=O)(=O)CC3=CC=CC=[N+]3[O-])NC(=O)N4CCOCC4

InChI

InChI=1S/C26H31N5O8S/c1-2-3-11-30(25(33)23-27-20-9-4-5-10-22(20)39-23)24(32)21(28-26(34)29-13-15-38-16-14-29)18-40(36,37)17-19-8-6-7-12-31(19)35/h4-10,12,21H,2-3,11,13-18H2,1H3,(H,28,34)