3-(3-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(3-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(3-fluorophenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(3-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(3-fluorophenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(3-fluorophenyl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN2O3S/c1-17-6-9-20(10-7-17)28(26,27)24-13-3-12-23(14-15-24)21(25)11-8-18-4-2-5-19(22)16-18/h2,4-7,9-10,16H,3,8,11-15H2,1H3