[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CC1=NOC(=N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O5S/c1-15(2)12-18-21-19(28-22-18)14-27-20(24)16-8-7-9-17(13-16)29(25,26)23-10-5-3-4-6-11-23/h7-9,13,15H,3-6,10-12,14H2,1-2H3