N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-(4-methylbenzyl)sulfonyl-isonipecotamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O3S/c1-16-2-4-18(5-3-16)15-28(26,27)24-12-10-19(11-13-24)21(25)23-14-17-6-8-20(22)9-7-17/h2-9,19H,10-15H2,1H3,(H,23,25)