(E)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-quinolin-8-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-quinolin-8-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-(8-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-(8-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-quinolin-8-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-(8-quinolyl)prop-2-en-1-one Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H22FN3O3S/c24-20-8-10-21(11-9-20)31(29,30)27-15-3-14-26(16-17-27)22(28)12-7-19-5-1-4-18-6-2-13-25-23(18)19/h1-2,4-13H,3,14-17H2/b12-7+