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

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-1-esyl-isonipecotamide Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H23BrN4O3S/c1-2-27(25,26)22-11-8-15(9-12-22)18(24)21-17-7-10-20-23(17)13-14-3-5-16(19)6-4-14/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,21,24)