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

Systemtic Name: N-[3-(2-ethoxyphenyl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(2-ethoxyphenyl)propyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(2-ethoxyphenyl)propyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(2-ethoxyphenyl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)sulfonyl-N-(3-o-phenetylpropyl)isonipecotamide Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C25H34N2O4S/c1-3-31-24-12-5-4-10-22(24)11-7-15-26-25(28)23-13-16-27(17-14-23)32(29,30)19-21-9-6-8-20(2)18-21/h4-6,8-10,12,18,23H,3,7,11,13-17,19H2,1-2H3,(H,26,28)