N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]acetamide Formula: C20H28N4O3S MolecularWeight: 404.52632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C)(C#N)C3CC3

InChI

InChI=1S/C20H28N4O3S/c1-15-4-5-16(2)18(12-15)28(26,27)24-10-8-23(9-11-24)13-19(25)22-20(3,14-21)17-6-7-17/h4-5,12,17H,6-11,13H2,1-3H3,(H,22,25)