[(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [(1S)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H20ClN3O5S/c1-9-15(10(2)21(4)20-9)19-16(22)11(3)26-17(23)13-8-12(27(5,24)25)6-7-14(13)18/h6-8,11H,1-5H3,(H,19,22)/t11-/m0/s1