3-[2-oxidanylidene-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-oxo-2-(4-tetralin-6-ylsulfonylpiperazin-1-yl)ethoxy]benzonitrile CAS Name: 3-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-keto-2-(4-tetralin-6-ylsulfonylpiperazino)ethoxy]benzonitrile Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c24-16-18-4-3-7-21(14-18)30-17-23(27)25-10-12-26(13-11-25)31(28,29)22-9-8-19-5-1-2-6-20(19)15-22/h3-4,7-9,14-15H,1-2,5-6,10-13,17H2