4-fluoranyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-fluoro-N-[(1-phenyl-4-pyrazolyl)methyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidinosulfonyl-benzamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H23FN4O3S/c23-20-10-9-18(13-21(20)31(29,30)26-11-5-2-6-12-26)22(28)24-14-17-15-25-27(16-17)19-7-3-1-4-8-19/h1,3-4,7-10,13,15-16H,2,5-6,11-12,14H2,(H,24,28)