1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(4-morpholinosulfonylphenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-(4-morpholinylsulfonyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(4-morpholinosulfonylphenyl)pyrazole-3-carboxamide Formula: C21H20BrClN4O5S MolecularWeight: 555.8293

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C21H20BrClN4O5S/c22-15-1-6-20(18(23)13-15)32-14-26-8-7-19(25-26)21(28)24-16-2-4-17(5-3-16)33(29,30)27-9-11-31-12-10-27/h1-8,13H,9-12,14H2,(H,24,28)