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

Systemtic Name: 1-(azepan-1-yl)-3-[3-(phenylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[3-(besylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c22-18(21-12-6-1-2-7-13-21)11-10-17-19-16(20-25-17)14-26(23,24)15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14H2