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

Systemtic Name: methyl 2-[[(4-nitrophenyl)sulfonyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(4-nitrophenyl)sulfonyl-pentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[(4-nitrophenyl)sulfonyl-pentylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-nitrophenyl)sulfonyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[amyl(nosyl)amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C17H21N3O7S MolecularWeight: 411.42954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7S/c1-3-4-5-10-19(11-16-18-15(12-27-16)17(21)26-2)28(24,25)14-8-6-13(7-9-14)20(22)23/h6-9,12H,3-5,10-11H2,1-2H3