7-(4-ethylsulfonylpiperazin-1-yl)-1-(2-fluorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-(4-ethylsulfonylpiperazin-1-yl)-1-(2-fluorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-(4-ethylsulfonylpiperazin-1-yl)-1-(2-fluorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-(4-ethylsulfonyl-1-piperazinyl)-1-(2-fluorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-(4-ethylsulfonylpiperazin-1-yl)-1-(2-fluorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-(4-esylpiperazino)-1-(2-fluorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C22H29FN4O2S MolecularWeight: 432.554663

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC3=C(C=C2)N(CCN(C3)C)C4=CC=CC=C4F

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC3=C(C=C2)N(CCN(C3)C)C4=CC=CC=C4F

InChI

InChI=1S/C22H29FN4O2S/c1-3-30(28,29)26-13-11-25(12-14-26)19-8-9-21-18(16-19)17-24(2)10-15-27(21)22-7-5-4-6-20(22)23/h4-9,16H,3,10-15,17H2,1-2H3