N-[(2-ethoxyphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(2-ethoxybenzyl)-1-(4-methylbenzyl)sulfonyl-isonipecotamide Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N2O4S/c1-3-29-22-7-5-4-6-21(22)16-24-23(26)20-12-14-25(15-13-20)30(27,28)17-19-10-8-18(2)9-11-19/h4-11,20H,3,12-17H2,1-2H3,(H,24,26)