2-[4-[(4-phenacylpiperazin-1-yl)sulfonylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-phenacylpiperazin-1-yl)sulfonylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-phenacylpiperazin-1-yl)sulfonylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-phenacyl-1-piperazinyl)sulfonylmethyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-phenacylpiperazin-1-yl)sulfonylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-phenacylpiperazino)sulfonylmethyl]phenyl]benzonitrile Formula: C26H25N3O3S MolecularWeight: 459.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O3S/c27-18-24-8-4-5-9-25(24)22-12-10-21(11-13-22)20-33(31,32)29-16-14-28(15-17-29)19-26(30)23-6-2-1-3-7-23/h1-13H,14-17,19-20H2