[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C17H21N3O5S/c1-11(2)20-15(9-10-18-20)19-16(21)12(3)25-17(22)13-7-5-6-8-14(13)26(4,23)24/h5-12H,1-4H3,(H,19,21)