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

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-chlorophenyl)thiazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(4-chlorophenyl)-4-thiazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-chlorophenyl)thiazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H17ClN4O3S2 MolecularWeight: 472.96768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CSC(=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CSC(=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H17ClN4O3S2/c22-17-7-5-15(6-8-17)20-24-18(14-30-20)21(27)25-9-11-26(12-10-25)31(28,29)19-4-2-1-3-16(19)13-23/h1-8,14H,9-12H2