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

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O6S/c1-17-7-9-18(10-8-17)23-25-22(33-26-23)16-32-24(28)19-11-12-20(31-2)21(15-19)34(29,30)27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3