N-(5-cyano-2-methyl-phenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]ethanamide

Systemtic Name: N-(5-cyano-2-methyl-phenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]ethanamide Openeye Name: N-(5-cyano-2-methyl-phenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]acetamide CAS Name: N-(5-cyano-2-methylphenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]acetamide IUPAC Name: N-(5-cyano-2-methylphenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]acetamide Traditional Name: N-(5-cyano-2-methyl-phenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazino]acetamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC(=O)NC3=C(C=CC(=C3)C#N)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC(=O)NC3=C(C=CC(=C3)C#N)C

InChI

InChI=1S/C23H25N5O3S/c1-16-7-8-20(12-25)10-22(16)26-23(29)15-27-13-17(2)28(18(3)14-27)32(30,31)21-6-4-5-19(9-21)11-24/h4-10,17-18H,13-15H2,1-3H3,(H,26,29)