2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-[(5-methyl-3-isoxazolyl)methylthio]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(5-methylisoxazol-3-yl)methylthio]benzoyl]piperazino]sulfonylbenzonitrile Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H22N4O4S2/c1-17-14-19(25-31-17)16-32-21-8-4-3-7-20(21)23(28)26-10-12-27(13-11-26)33(29,30)22-9-5-2-6-18(22)15-24/h2-9,14H,10-13,16H2,1H3