(E)-3-(4-fluorophenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-fluorophenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-fluorophenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-fluorophenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-propen-1-one IUPAC Name: (E)-3-(4-fluorophenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-fluorophenyl)-1-(4-mesyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C15H19FN2O3S MolecularWeight: 326.386363

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C15H19FN2O3S/c1-22(20,21)18-10-2-9-17(11-12-18)15(19)8-5-13-3-6-14(16)7-4-13/h3-8H,2,9-12H2,1H3/b8-5+