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

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl] ester Formula: C15H17ClN2O5S MolecularWeight: 372.82388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O5S/c1-15(2,9-17)18(3)13(19)8-23-14(20)11-7-10(24(4,21)22)5-6-12(11)16/h5-7H,8H2,1-4H3