2-[4-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(4-bromo-2,5-dimethoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-bromo-2,5-dimethoxy-benzyl)piperazino]sulfonylbenzonitrile Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC)Br

InChI

InChI=1S/C20H22BrN3O4S/c1-27-18-12-17(21)19(28-2)11-16(18)14-23-7-9-24(10-8-23)29(25,26)20-6-4-3-5-15(20)13-22/h3-6,11-12H,7-10,14H2,1-2H3