methyl 5-[[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[oxo-[3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]methoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[3-(4-benzylpiperazino)sulfonylbenzoyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O7S/c1-32-25(29)23-11-10-21(34-23)18-33-24(28)20-8-5-9-22(16-20)35(30,31)27-14-12-26(13-15-27)17-19-6-3-2-4-7-19/h2-11,16H,12-15,17-18H2,1H3