1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]-N-[(4-fluorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-(4-fluorobenzyl)isonipecotamide Formula: C18H23FN4O3S MolecularWeight: 394.463623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H23FN4O3S/c1-13-17(12-22(2)21-13)27(25,26)23-9-7-15(8-10-23)18(24)20-11-14-3-5-16(19)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H,20,24)