4-[2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]-2-keto-ethoxy]benzonitrile Formula: C19H17BrClN3O4S MolecularWeight: 498.77798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H17BrClN3O4S/c20-15-3-6-18(17(21)11-15)29(26,27)24-9-7-23(8-10-24)19(25)13-28-16-4-1-14(12-22)2-5-16/h1-6,11H,7-10,13H2