2-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]ethyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[2-[4-(4-fluorophenyl)piperazino]sulfonylethyl]-5-methyl-isoindoline-1,3-quinone Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O4S/c1-15-2-7-18-19(14-15)21(27)25(20(18)26)12-13-30(28,29)24-10-8-23(9-11-24)17-5-3-16(22)4-6-17/h2-7,14H,8-13H2,1H3