1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[3-(1-imidazolyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)isonipecotamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3)C

InChI

InChI=1S/C21H30N4O4S/c1-3-29-20-6-5-19(15-17(20)2)30(27,28)25-12-7-18(8-13-25)21(26)23-9-4-11-24-14-10-22-16-24/h5-6,10,14-16,18H,3-4,7-9,11-13H2,1-2H3,(H,23,26)