(E)-1-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(2-fluoro-4-mesyl-phenyl)-1,4-diazepan-1-yl]-3-phenyl-prop-2-en-1-one Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)C=CC3=CC=CC=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)/C=C/C3=CC=CC=C3)F

InChI

InChI=1S/C21H23FN2O3S/c1-28(26,27)18-9-10-20(19(22)16-18)23-12-5-13-24(15-14-23)21(25)11-8-17-6-3-2-4-7-17/h2-4,6-11,16H,5,12-15H2,1H3/b11-8+