[2-(furan-2-ylcarbonylamino)-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-(furan-2-ylcarbonylamino)-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-(furan-2-carbonylamino)-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-[[2-furanyl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-carbonylamino)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-(2-furoylamino)-2-keto-ethyl] ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)NC(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H24N2O8S/c1-29-17-9-8-15(32(27,28)23-10-4-2-3-5-11-23)13-16(17)21(26)31-14-19(24)22-20(25)18-7-6-12-30-18/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,22,24,25)