N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-tosyl-nipecotamide Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O3S/c1-15-4-10-19(11-5-15)27(25,26)23-12-2-3-17(14-23)20(24)22-13-16-6-8-18(21)9-7-16/h4-11,17H,2-3,12-14H2,1H3,(H,22,24)