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

Systemtic Name: [2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H23ClN2O6S/c1-17(2,3)19-14(21)9-20(4)15(22)10-26-16(23)12-8-11(27(5,24)25)6-7-13(12)18/h6-8H,9-10H2,1-5H3,(H,19,21)