3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide

Systemtic Name: 3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: 3-(3,5-dibromo-2-methoxy-phenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide CAS Name: 3-(3,5-dibromo-2-methoxyphenyl)-N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-propenamide IUPAC Name: 3-(3,5-dibromo-2-methoxyphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide Traditional Name: 3-(3,5-dibromo-2-methoxy-phenyl)-N-[2-(4-mesylpiperazino)phenyl]acrylamide Formula: C21H23Br2N3O4S MolecularWeight: 573.29802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C=CC(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C=CC(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)Br)Br

InChI

InChI=1S/C21H23Br2N3O4S/c1-30-21-15(13-16(22)14-17(21)23)7-8-20(27)24-18-5-3-4-6-19(18)25-9-11-26(12-10-25)31(2,28)29/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)