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

Systemtic Name: 1-(azepan-1-yl)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[3-(4-pyrrolidinosulfonylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C21H28N4O4S MolecularWeight: 432.53642

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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)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O4S/c26-20(24-13-3-1-2-4-14-24)12-11-19-22-21(23-29-19)17-7-9-18(10-8-17)30(27,28)25-15-5-6-16-25/h7-10H,1-6,11-16H2