3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethoxy]benzonitrile Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21N3O4S/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/h1-9,14-15H,10-13,17H2