ethyl 3-[4-chloranyl-1-(diethylcarbamoyl)pyrazol-3-yl]sulfonylbenzoate

Systemtic Name: ethyl 3-[4-chloranyl-1-(diethylcarbamoyl)pyrazol-3-yl]sulfonylbenzoate Openeye Name: ethyl 3-[4-chloro-1-(diethylcarbamoyl)pyrazol-3-yl]sulfonylbenzoate CAS Name: 3-[[4-chloro-1-[diethylamino(oxo)methyl]-3-pyrazolyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-chloro-1-(diethylcarbamoyl)pyrazol-3-yl]sulfonylbenzoate Traditional Name: 3-[4-chloro-1-(diethylcarbamoyl)pyrazol-3-yl]sulfonylbenzoic acid ethyl ester Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=C(C(=N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC)Cl

Isomeric SMILES

CCN(CC)C(=O)N1C=C(C(=N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC)Cl

InChI

InChI=1S/C17H20ClN3O5S/c1-4-20(5-2)17(23)21-11-14(18)15(19-21)27(24,25)13-9-7-8-12(10-13)16(22)26-6-3/h7-11H,4-6H2,1-3H3