[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29ClN2O6S MolecularWeight: 460.97206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NCC(C)C)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NCC(C)C)Cl

InChI

InChI=1S/C20H29ClN2O6S/c1-12(2)9-22-19(24)15(5)29-20(25)16-6-7-17(21)18(8-16)30(26,27)23-10-13(3)28-14(4)11-23/h6-8,12-15H,9-11H2,1-5H3,(H,22,24)