4-[2-oxidanylidene-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanylidene-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-oxo-2-(4-tetralin-6-ylsulfonylpiperazin-1-yl)ethoxy]benzonitrile CAS Name: 4-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-tetralin-6-ylsulfonylpiperazino)ethoxy]benzonitrile Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O4S/c24-16-18-5-8-21(9-6-18)30-17-23(27)25-11-13-26(14-12-25)31(28,29)22-10-7-19-3-1-2-4-20(19)15-22/h5-10,15H,1-4,11-14,17H2