[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]ethyl] ester Formula: C29H30N2O8S MolecularWeight: 566.6221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC

InChI

InChI=1S/C29H30N2O8S/c1-36-24-12-11-19(40(34,35)31-13-7-3-4-8-14-31)15-22(24)29(33)38-18-28(32)30-23-17-26-21(16-27(23)37-2)20-9-5-6-10-25(20)39-26/h5-6,9-12,15-17H,3-4,7-8,13-14,18H2,1-2H3,(H,30,32)