5-[5-(azepan-1-ylcarbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-benzenesulfonyl chloride

Systemtic Name: 5-[5-(azepan-1-ylcarbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-benzenesulfonyl chloride Openeye Name: 5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-benzenesulfonyl chloride CAS Name: 5-[5-[1-azepanyl(oxo)methyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzenesulfonyl chloride IUPAC Name: 5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methylbenzenesulfonyl chloride Traditional Name: 5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-benzenesulfonyl chloride Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)N3CCCCCC3)S(=O)(=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)N3CCCCCC3)S(=O)(=O)Cl

InChI

InChI=1S/C16H18ClN3O4S/c1-11-6-7-12(10-13(11)25(17,22)23)14-18-15(24-19-14)16(21)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3