2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-amino]-N,N-diethyl-ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-amino]-N,N-diethyl-ethanamide Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]-N,N-diethyl-acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]-N,N-diethylacetamide IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]-N,N-diethylacetamide Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]-N,N-diethyl-acetamide Formula: C13H18ClN3O5S MolecularWeight: 363.81712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H18ClN3O5S/c1-4-16(5-2)13(18)9-15(3)23(21,22)10-6-7-11(14)12(8-10)17(19)20/h6-8H,4-5,9H2,1-3H3