N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C)OC

InChI

InChI=1S/C26H36N2O5S/c1-4-33-24-11-10-21(18-25(24)32-3)9-6-14-27-26(29)23-12-15-28(16-13-23)34(30,31)19-22-8-5-7-20(2)17-22/h5,7-8,10-11,17-18,23H,4,6,9,12-16,19H2,1-3H3,(H,27,29)