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

Systemtic Name: N-(5-cyano-2-methyl-phenyl)-N-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]ethanamide Openeye Name: N-(5-cyano-2-methyl-phenyl)-N-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]acetamide CAS Name: N-(5-cyano-2-methylphenyl)-N-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]acetamide IUPAC Name: N-(5-cyano-2-methylphenyl)-N-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]acetamide Traditional Name: N-(5-cyano-2-methyl-phenyl)-N-[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)N(C3=C(C=CC(=C3)C#N)C)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3S/c1-16-8-9-21(13-25)11-23(16)27(19(4)29)26-14-17(2)28(18(3)15-26)32(30,31)22-7-5-6-20(10-22)12-24/h5-11,17-18H,14-15H2,1-4H3