N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-[(2-chlorophenyl)methyl]-3-pyrazolyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(2-chlorobenzyl)pyrazol-3-yl]isonipecotamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=NN2CC3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=NN2CC3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O3S/c23-20-9-5-4-6-18(20)16-27-21(10-13-24-27)25-22(28)17-11-14-26(15-12-17)31(29,30)19-7-2-1-3-8-19/h1-10,13,17H,11-12,14-16H2,(H,25,28)