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

Systemtic Name: N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(4-ethylbenzyl)-1-(4-fluorophenyl)sulfonyl-N-(3-pyridylmethyl)isonipecotamide Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H30FN3O3S/c1-2-21-5-7-22(8-6-21)19-30(20-23-4-3-15-29-18-23)27(32)24-13-16-31(17-14-24)35(33,34)26-11-9-25(28)10-12-26/h3-12,15,18,24H,2,13-14,16-17,19-20H2,1H3