2-[4-[1-(3-methylphenyl)cyclobutyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(3-methylphenyl)cyclobutyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(m-tolyl)cyclobutanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-(3-methylphenyl)cyclobutyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(3-methylphenyl)cyclobutanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(m-tolyl)cyclobutanecarbonyl]piperazino]sulfonylbenzonitrile Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H25N3O3S/c1-18-6-4-8-20(16-18)23(10-5-11-23)22(27)25-12-14-26(15-13-25)30(28,29)21-9-3-2-7-19(21)17-24/h2-4,6-9,16H,5,10-15H2,1H3