N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: 1-esyl-N-(4-ethoxy-3-methoxy-benzyl)isonipecotamide Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC)OC

InChI

InChI=1S/C18H28N2O5S/c1-4-25-16-7-6-14(12-17(16)24-3)13-19-18(21)15-8-10-20(11-9-15)26(22,23)5-2/h6-7,12,15H,4-5,8-11,13H2,1-3H3,(H,19,21)