3-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C18H15BrClN3O3S MolecularWeight: 468.752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H15BrClN3O3S/c19-15-4-5-17(16(20)11-15)27(25,26)23-8-6-22(7-9-23)18(24)14-3-1-2-13(10-14)12-21/h1-5,10-11H,6-9H2