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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[C@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H22N2O5S/c1-15-6-8-16(9-7-15)29(26,27)23-12-10-22(11-13-23)20(24)14-19-17-4-2-3-5-18(17)21(25)28-19/h2-9,19H,10-14H2,1H3/t19-/m0/s1