1-[4-cyano-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

Systemtic Name: 1-[4-cyano-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide Openeye Name: 1-[4-cyano-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)oxazol-5-yl]piperidine-4-carboxamide CAS Name: 1-[4-cyano-2-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-5-oxazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-cyano-2-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide Traditional Name: 1-[4-cyano-2-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)oxazol-5-yl]isonipecotamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CCC(CC3)C(=O)N)C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CCC(CC3)C(=O)N)C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N5O5S/c1-30-17-5-4-15(12-18(17)32(28,29)26-8-2-3-9-26)20-24-16(13-22)21(31-20)25-10-6-14(7-11-25)19(23)27/h4-5,12,14H,2-3,6-11H2,1H3,(H2,23,27)