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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

InChI

InChI=1S/C21H23N3O6S2/c1-28-18-7-6-16(32(26,27)24-9-4-2-3-5-10-24)12-17(18)21(25)29-13-19-22-20(30-23-19)15-8-11-31-14-15/h6-8,11-12,14H,2-5,9-10,13H2,1H3