2-[4-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(5-bromo-2-methoxy-phenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-(5-bromo-2-methoxyphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(5-bromo-2-methoxyphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(5-bromo-2-methoxy-phenyl)sulfonylpiperazino]benzonitrile Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H18BrN3O3S/c1-25-17-7-6-15(19)12-18(17)26(23,24)22-10-8-21(9-11-22)16-5-3-2-4-14(16)13-20/h2-7,12H,8-11H2,1H3