2-[4-[2-[(4-cyanophenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(4-cyanophenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(4-cyanophenyl)methylsulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(4-cyanophenyl)methylthio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(4-cyanophenyl)methylsulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(4-cyanobenzyl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N4O3S2/c22-13-17-5-7-18(8-6-17)15-29-16-21(26)24-9-11-25(12-10-24)30(27,28)20-4-2-1-3-19(20)14-23/h1-8H,9-12,15-16H2