(3S)-3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]phthalide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2C3=CC=CC=C3C(=O)O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C[C@H]2C3=CC=CC=C3C(=O)O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O5S/c24-20(14-19-17-8-4-5-9-18(17)21(25)28-19)22-10-12-23(13-11-22)29(26,27)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2/t19-/m0/s1