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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(2-ethoxybenzyl)-1-(3-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=CC(=C3)C

Isomeric SMILES

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

InChI

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