2-[4-[[2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[2-(2-methylanilino)thiazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(2-methylanilino)-4-thiazolyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[2-(o-toluidino)thiazol-4-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H23N5O2S2/c1-17-6-2-4-8-20(17)25-22-24-19(16-30-22)15-26-10-12-27(13-11-26)31(28,29)21-9-5-3-7-18(21)14-23/h2-9,16H,10-13,15H2,1H3,(H,24,25)