N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-mesyl-isonipecotamide Formula: C17H21BrN4O4S MolecularWeight: 457.34204

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H21BrN4O4S/c1-27(24,25)22-8-6-13(7-9-22)17(23)20-15-10-19-21(11-15)12-26-16-4-2-14(18)3-5-16/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,23)