N,N-diethylmethanamide; methyl 2-chloranyl-4-ethylsulfonyl-3-methoxy-benzoate

Systemtic Name: N,N-diethylmethanamide; methyl 2-chloranyl-4-ethylsulfonyl-3-methoxy-benzoate Openeye Name: N,N-diethylformamide; methyl 2-chloro-4-ethylsulfonyl-3-methoxy-benzoate CAS Name: 2-chloro-4-ethylsulfonyl-3-methoxybenzoic acid methyl ester; N,N-diethylformamide IUPAC Name: N,N-diethylformamide; methyl 2-chloro-4-ethylsulfonyl-3-methoxybenzoate Traditional Name: 2-chloro-4-esyl-3-methoxy-benzoic acid methyl ester; N,N-diethylformamide Formula: C16H24ClNO6S MolecularWeight: 393.88286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C=O.CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC)Cl)OC

Isomeric SMILES

CCN(CC)C=O.CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC)Cl)OC

InChI

InChI=1S/C11H13ClO5S.C5H11NO/c1-4-18(14,15)8-6-5-7(11(13)17-3)9(12)10(8)16-2;1-3-6(4-2)5-7/h5-6H,4H2,1-3H3;5H,3-4H2,1-2H3