4-[4-(2-naphthalen-2-yloxyethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-naphthalen-2-yloxyethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(2-naphthyloxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(2-naphthalenyloxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(2-naphthoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21N3O4S/c24-16-18-5-9-22(10-6-18)31(28,29)26-13-11-25(12-14-26)23(27)17-30-21-8-7-19-3-1-2-4-20(19)15-21/h1-10,15H,11-14,17H2