4-[[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[2-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[2-[4-(3-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]sulfonylmethyl]benzonitrile Formula: C20H20ClN3O5S2 MolecularWeight: 481.9729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O5S2/c21-18-2-1-3-19(12-18)31(28,29)24-10-8-23(9-11-24)20(25)15-30(26,27)14-17-6-4-16(13-22)5-7-17/h1-7,12H,8-11,14-15H2