[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C25H31N3O8S MolecularWeight: 533.59394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O8S/c1-34-20-9-8-19(17-22(20)37(32,33)28-10-4-2-3-5-11-28)25(31)36-18-23(29)26-12-14-27(15-13-26)24(30)21-7-6-16-35-21/h6-9,16-17H,2-5,10-15,18H2,1H3