2-[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazino]isonicotinonitrile Formula: C18H19BrN4O4S MolecularWeight: 467.33686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C18H19BrN4O4S/c1-26-15-10-14(19)17(11-16(15)27-2)28(24,25)23-7-5-22(6-8-23)18-9-13(12-20)3-4-21-18/h3-4,9-11H,5-8H2,1-2H3