2-[4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazino]benzonitrile Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H20BrN3O2S/c1-2-15-13-17(20)7-8-19(15)26(24,25)23-11-9-22(10-12-23)18-6-4-3-5-16(18)14-21/h3-8,13H,2,9-12H2,1H3