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

Systemtic Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-1-tosyl-isonipecotamide Formula: C28H31FN2O3S MolecularWeight: 494.620743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H31FN2O3S/c1-3-21-9-11-22(12-10-21)27(24-5-4-6-25(29)19-24)30-28(32)23-15-17-31(18-16-23)35(33,34)26-13-7-20(2)8-14-26/h4-14,19,23,27H,3,15-18H2,1-2H3,(H,30,32)