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

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O5S/c1-17-9-11-18(12-10-17)22-24-21(25-31-22)16-30-23(27)19-7-6-8-20(15-19)32(28,29)26-13-4-2-3-5-14-26/h6-12,15H,2-5,13-14,16H2,1H3