dibenzofuran-2-yl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: dibenzofuran-2-yl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: dibenzofuran-2-yl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid dibenzofuran-2-yl ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C26H25NO6S/c1-31-23-13-11-19(34(29,30)27-14-6-2-3-7-15-27)17-22(23)26(28)32-18-10-12-25-21(16-18)20-8-4-5-9-24(20)33-25/h4-5,8-13,16-17H,2-3,6-7,14-15H2,1H3