N-[(3,4-diethoxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C)OCC

InChI

InChI=1S/C25H34N2O5S/c1-4-31-23-11-10-20(16-24(23)32-5-2)17-26-25(28)21-12-14-27(15-13-21)33(29,30)18-22-9-7-6-8-19(22)3/h6-11,16,21H,4-5,12-15,17-18H2,1-3H3,(H,26,28)