N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[(1-methyl-4-imidazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-1-(1-methylimidazol-4-yl)sulfonyl-isonipecotamide Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=N3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=N3)C)OC

InChI

InChI=1S/C20H28N4O5S/c1-4-29-17-6-5-15(11-18(17)28-3)12-21-20(25)16-7-9-24(10-8-16)30(26,27)19-13-23(2)14-22-19/h5-6,11,13-14,16H,4,7-10,12H2,1-3H3,(H,21,25)