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

Systemtic Name: N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-1-(p-tolylsulfonyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(4-ethylbenzyl)-N-(3-pyridylmethyl)-1-tosyl-isonipecotamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3S/c1-3-23-8-10-24(11-9-23)20-30(21-25-5-4-16-29-19-25)28(32)26-14-17-31(18-15-26)35(33,34)27-12-6-22(2)7-13-27/h4-13,16,19,26H,3,14-15,17-18,20-21H2,1-2H3