4-[4-[3-(thiophen-2-ylmethoxy)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(thiophen-2-ylmethoxy)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(2-thienylmethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[3-(thiophen-2-ylmethoxy)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(thiophen-2-ylmethoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(2-thenyloxy)benzoyl]piperazino]sulfonylbenzonitrile Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)OCC3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)OCC3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21N3O4S2/c24-16-18-6-8-22(9-7-18)32(28,29)26-12-10-25(11-13-26)23(27)19-3-1-4-20(15-19)30-17-21-5-2-14-31-21/h1-9,14-15H,10-13,17H2