2-[4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-bromo-4-methyl-phenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-bromo-4-methylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-bromo-4-methyl-phenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O4S/c1-15-6-7-18(17(21)12-15)28-14-20(25)23-8-10-24(11-9-23)29(26,27)19-5-3-2-4-16(19)13-22/h2-7,12H,8-11,14H2,1H3