[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid phthalimidomethyl ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O7S/c1-15(26)23-9-11-24(12-10-23)33(30,31)17-6-4-5-16(13-17)22(29)32-14-25-20(27)18-7-2-3-8-19(18)21(25)28/h2-8,13H,9-12,14H2,1H3