(5S)-1-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (5S)-1-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (5S)-1-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one CAS Name: (5S)-1-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-5-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-pyrrolidinone IUPAC Name: (5S)-1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one Traditional Name: (5S)-1-(3-keto-4,5-dimethoxy-phthalan-1-yl)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-pyrrolidone Formula: C26H29N3O9S MolecularWeight: 559.58816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCC(=O)N3C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CCC(=O)N3C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4

InChI

InChI=1S/C26H29N3O9S/c1-35-16-4-6-17(7-5-16)39(33,34)28-14-12-27(13-15-28)24(31)19-9-11-21(30)29(19)25-18-8-10-20(36-2)23(37-3)22(18)26(32)38-25/h4-8,10,19,25H,9,11-15H2,1-3H3/t19-,25?/m0/s1