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

Systemtic Name: 2-[4-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-chlorophenyl)-4-methyl-thiazole-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(3-chlorophenyl)-4-methyl-5-thiazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3-chlorophenyl)-4-methyl-thiazole-5-carbonyl]piperazino]sulfonylbenzonitrile Formula: C22H19ClN4O3S2 MolecularWeight: 486.99426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H19ClN4O3S2/c1-15-20(31-21(25-15)16-6-4-7-18(23)13-16)22(28)26-9-11-27(12-10-26)32(29,30)19-8-3-2-5-17(19)14-24/h2-8,13H,9-12H2,1H3