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

Systemtic Name: 1-[2-[4-(azepan-1-ylsulfonyl)phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-(azepan-1-ylsulfonyl)phenyl]-4-cyano-oxazol-5-yl]piperidine-4-carboxamide CAS Name: 1-[2-[4-(1-azepanylsulfonyl)phenyl]-4-cyano-5-oxazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-(azepan-1-ylsulfonyl)phenyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide Traditional Name: 1-[2-[4-(azepan-1-ylsulfonyl)phenyl]-4-cyano-oxazol-5-yl]isonipecotamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)C(=O)N)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)C(=O)N)C#N

InChI

InChI=1S/C22H27N5O4S/c23-15-19-22(26-13-9-16(10-14-26)20(24)28)31-21(25-19)17-5-7-18(8-6-17)32(29,30)27-11-3-1-2-4-12-27/h5-8,16H,1-4,9-14H2,(H2,24,28)