2-[4-[1-(4-chlorophenyl)cyclobutyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(4-chlorophenyl)cyclobutyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-(4-chlorophenyl)cyclobutyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazino]sulfonylbenzonitrile Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H22ClN3O3S/c23-19-8-6-18(7-9-19)22(10-3-11-22)21(27)25-12-14-26(15-13-25)30(28,29)20-5-2-1-4-17(20)16-24/h1-2,4-9H,3,10-15H2