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

Systemtic Name: methyl 2-[[(4-chloranyl-3-nitro-phenyl)sulfonyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(4-chloro-3-nitro-phenyl)sulfonyl-pentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)sulfonyl-pentylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-chloro-3-nitrophenyl)sulfonyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[amyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C17H20ClN3O7S MolecularWeight: 445.8746

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O7S/c1-3-4-5-8-20(10-16-19-14(11-28-16)17(22)27-2)29(25,26)12-6-7-13(18)15(9-12)21(23)24/h6-7,9,11H,3-5,8,10H2,1-2H3