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

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-1-mesyl-isonipecotamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN4O3S/c1-26(24,25)21-10-7-14(8-11-21)17(23)20-16-6-9-19-22(16)12-13-2-4-15(18)5-3-13/h2-6,9,14H,7-8,10-12H2,1H3,(H,20,23)