4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-[(E)-styryl]sulfonylpiperazin-1-yl]butanenitrile CAS Name: 4-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butanenitrile Traditional Name: 4-[4-[(E)-styryl]sulfonylpiperazino]butyronitrile Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC#N)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCCC#N)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S/c17-9-4-5-10-18-11-13-19(14-12-18)22(20,21)15-8-16-6-2-1-3-7-16/h1-3,6-8,15H,4-5,10-14H2/b15-8+