4-[4-[1-(3-chlorophenyl)cyclobutyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[1-(3-chlorophenyl)cyclobutyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[1-(3-chlorophenyl)cyclobutyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazino]sulfonylbenzonitrile Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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