1-(2-bromoethyl)-N-ethyl-5-(2,4,6-trimethylphenyl)sulfonyl-pyrazole-4-carboxamide

Systemtic Name: 1-(2-bromoethyl)-N-ethyl-5-(2,4,6-trimethylphenyl)sulfonyl-pyrazole-4-carboxamide Openeye Name: 1-(2-bromoethyl)-N-ethyl-5-(2,4,6-trimethylphenyl)sulfonyl-pyrazole-4-carboxamide CAS Name: 1-(2-bromoethyl)-N-ethyl-5-(2,4,6-trimethylphenyl)sulfonyl-4-pyrazolecarboxamide IUPAC Name: 1-(2-bromoethyl)-N-ethyl-5-(2,4,6-trimethylphenyl)sulfonylpyrazole-4-carboxamide Traditional Name: 1-(2-bromoethyl)-N-ethyl-5-mesitylsulfonyl-pyrazole-4-carboxamide Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(N(N=C1)CCBr)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCNC(=O)C1=C(N(N=C1)CCBr)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C17H22BrN3O3S/c1-5-19-16(22)14-10-20-21(7-6-18)17(14)25(23,24)15-12(3)8-11(2)9-13(15)4/h8-10H,5-7H2,1-4H3,(H,19,22)