(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H24ClN3O5S MolecularWeight: 441.92896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24ClN3O5S/c1-13(2)18-21-17(28-22-18)12-27-19(24)14-7-8-15(20)16(11-14)29(25,26)23-9-5-3-4-6-10-23/h7-8,11,13H,3-6,9-10,12H2,1-2H3