2-[4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[5-(4-chlorophenyl)isoxazole-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[5-(4-chlorophenyl)-3-isoxazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[5-(4-chlorophenyl)isoxazole-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H17ClN4O4S/c22-17-7-5-15(6-8-17)19-13-18(24-30-19)21(27)25-9-11-26(12-10-25)31(28,29)20-4-2-1-3-16(20)14-23/h1-8,13H,9-12H2