methyl 2-[[3-ethoxypropyl-(4-nitrophenyl)sulfonyl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[3-ethoxypropyl-(4-nitrophenyl)sulfonyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[3-ethoxypropyl-(4-nitrophenyl)sulfonyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[3-ethoxypropyl-(4-nitrophenyl)sulfonylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-ethoxypropyl-(4-nitrophenyl)sulfonylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[3-ethoxypropyl(nosyl)amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C17H21N3O8S MolecularWeight: 427.42894

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOCCCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O8S/c1-3-27-10-4-9-19(11-16-18-15(12-28-16)17(21)26-2)29(24,25)14-7-5-13(6-8-14)20(22)23/h5-8,12H,3-4,9-11H2,1-2H3