N-(4-ethylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-ethylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-ethylphenyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-ethylphenyl)-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-ethylphenyl)-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H28N2O3S/c1-3-18-7-9-21(10-8-18)23-22(25)20-11-13-24(14-12-20)28(26,27)16-19-6-4-5-17(2)15-19/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,23,25)