2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(8-chloro-1-naphthyl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H20ClN3O3S2 MolecularWeight: 486.0062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H20ClN3O3S2/c24-19-8-3-6-17-7-4-9-20(23(17)19)31-16-22(28)26-11-13-27(14-12-26)32(29,30)21-10-2-1-5-18(21)15-25/h1-10H,11-14,16H2