(3S)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(4-fluorophenyl)methyl]-1-[(1-methyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-fluorobenzyl)-1-(1-methylpyrazol-4-yl)sulfonyl-nipecotamide Formula: C17H21FN4O3S MolecularWeight: 380.437043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4O3S/c1-21-12-16(10-20-21)26(24,25)22-8-2-3-14(11-22)17(23)19-9-13-4-6-15(18)7-5-13/h4-7,10,12,14H,2-3,8-9,11H2,1H3,(H,19,23)/t14-/m0/s1