4-[4-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[[2-(4-chlorophenyl)oxazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[2-(4-chlorophenyl)-4-oxazolyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[[2-(4-chlorophenyl)oxazol-4-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=COC(=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=COC(=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19ClN4O3S/c22-18-5-3-17(4-6-18)21-24-19(15-29-21)14-25-9-11-26(12-10-25)30(27,28)20-7-1-16(13-23)2-8-20/h1-8,15H,9-12,14H2