[1-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(phenylsulfonyl)hex-4-yn-2-yl] ethanoate

Systemtic Name: [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(phenylsulfonyl)hex-4-yn-2-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-[(1,3-dioxoisoindolin-2-yl)methyl]pent-3-ynyl] acetate CAS Name: acetic acid [6-(benzenesulfonyl)-1-(1,3-dioxo-2-isoindolyl)hex-4-yn-2-yl] ester IUPAC Name: [6-(benzenesulfonyl)-1-(1,3-dioxoisoindol-2-yl)hex-4-yn-2-yl] acetate Traditional Name: acetic acid [5-besyl-1-(phthalimidomethyl)pent-3-ynyl] ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC#CCS(=O)(=O)C1=CC=CC=C1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)OC(CC#CCS(=O)(=O)C1=CC=CC=C1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H19NO6S/c1-16(24)29-17(9-7-8-14-30(27,28)18-10-3-2-4-11-18)15-23-21(25)19-12-5-6-13-20(19)22(23)26/h2-6,10-13,17H,9,14-15H2,1H3