4-fluoranyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-fluoro-N-[3-(1-pyrazolylmethyl)phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4)F

InChI

InChI=1S/C21H21FN4O3S/c22-19-8-7-17(14-20(19)30(28,29)26-11-1-2-12-26)21(27)24-18-6-3-5-16(13-18)15-25-10-4-9-23-25/h3-10,13-14H,1-2,11-12,15H2,(H,24,27)