N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-1-esyl-isonipecotamide Formula: C16H21BrN4O3S2 MolecularWeight: 461.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br

InChI

InChI=1S/C16H21BrN4O3S2/c1-2-26(23,24)20-7-4-12(5-8-20)16(22)19-15-3-6-18-21(15)10-14-9-13(17)11-25-14/h3,6,9,11-12H,2,4-5,7-8,10H2,1H3,(H,19,22)