(E)-3-(4-imidazol-1-ylphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(1-imidazolyl)phenyl]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Formula: C23H24N4O3S MolecularWeight: 436.52666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c28-23(11-8-20-6-9-22(10-7-20)26-13-12-24-19-26)25-14-16-27(17-15-25)31(29,30)18-21-4-2-1-3-5-21/h1-13,19H,14-18H2/b11-8+