[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C29H33N3O7S MolecularWeight: 567.65322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C29H33N3O7S/c1-3-4-6-22-9-11-23(12-10-22)30-40(36,37)24-13-8-21(2)25(19-24)29(35)39-20-27(33)31-14-16-32(17-15-31)28(34)26-7-5-18-38-26/h5,7-13,18-19,30H,3-4,6,14-17,20H2,1-2H3