2-[4-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C21H20BrN3O3S MolecularWeight: 474.3708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)Br

InChI

InChI=1S/C21H20BrN3O3S/c1-16-6-7-17(19(22)14-16)8-9-21(26)24-10-12-25(13-11-24)29(27,28)20-5-3-2-4-18(20)15-23/h2-9,14H,10-13H2,1H3/b9-8+