1-(azepan-1-yl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[3-(4-morpholinosulfonylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[3-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[3-(4-morpholinosulfonylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O5S/c26-20(24-11-3-1-2-4-12-24)10-9-19-22-21(23-30-19)17-5-7-18(8-6-17)31(27,28)25-13-15-29-16-14-25/h5-8H,1-4,9-16H2