N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-1-tosyl-isonipecotamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=C(C=C3)OC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=C(C=C3)OC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H31N3O4S/c1-19-5-9-24(10-6-19)35(32,33)30-14-12-23(13-15-30)27(31)29-18-22-8-11-26(28-17-22)34-25-16-20(2)4-7-21(25)3/h4-11,16-17,23H,12-15,18H2,1-3H3,(H,29,31)