N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(4-fluoro-3-morpholinosulfonyl-phenyl)pyrazole-4-carboxamide CAS Name: N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(4-fluoro-3-morpholinosulfonyl-phenyl)pyrazole-4-carboxamide Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4)F

InChI

InChI=1S/C21H21FN4O4S/c22-19-7-6-18(12-20(19)31(28,29)26-8-10-30-11-9-26)24-21(27)17-13-23-25(15-17)14-16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2,(H,24,27)