3-chloranyl-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-chloro-4-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethoxy]benzonitrile IUPAC Name: 3-chloro-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzonitrile Traditional Name: 3-chloro-4-[2-keto-2-(4-mesylpiperazino)ethoxy]benzonitrile Formula: C14H16ClN3O4S MolecularWeight: 357.81254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H16ClN3O4S/c1-23(20,21)18-6-4-17(5-7-18)14(19)10-22-13-3-2-11(9-16)8-12(13)15/h2-3,8H,4-7,10H2,1H3