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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[4-(4-mesylpiperazino)phenyl]acrylamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H24BrN3O4S/c1-29-20-9-4-17(22)15-16(20)3-10-21(26)23-18-5-7-19(8-6-18)24-11-13-25(14-12-24)30(2,27)28/h3-10,15H,11-14H2,1-2H3,(H,23,26)/b10-3+