3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-[4-(3-bromophenyl)sulfonylpiperazino]-2-keto-ethoxy]benzonitrile Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O4S/c20-16-4-2-6-18(12-16)28(25,26)23-9-7-22(8-10-23)19(24)14-27-17-5-1-3-15(11-17)13-21/h1-6,11-12H,7-10,14H2