6-[4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(4-bromo-2-ethylphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazino]nicotinonitrile Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O2S/c1-2-15-11-16(19)4-5-17(15)26(24,25)23-9-7-22(8-10-23)18-6-3-14(12-20)13-21-18/h3-6,11,13H,2,7-10H2,1H3