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

Systemtic Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O6S/c1-30-20-12-5-4-11-19(20)22-24-21(32-25-22)16-31-23(27)17-9-8-10-18(15-17)33(28,29)26-13-6-2-3-7-14-26/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3