6-[4-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(5-bromo-2-methoxy-phenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(5-bromo-2-methoxyphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(5-bromo-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(5-bromo-2-methoxy-phenyl)sulfonylpiperazino]nicotinonitrile Formula: C17H17BrN4O3S MolecularWeight: 437.31088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4O3S/c1-25-15-4-3-14(18)10-16(15)26(23,24)22-8-6-21(7-9-22)17-5-2-13(11-19)12-20-17/h2-5,10,12H,6-9H2,1H3