[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C14H15ClN2O5S MolecularWeight: 358.7973

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C14H15ClN2O5S/c1-17(7-3-6-16)13(18)9-22-14(19)11-8-10(23(2,20)21)4-5-12(11)15/h4-5,8H,3,7,9H2,1-2H3