N-(1-cyanocycloheptyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]acetamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3(CCCCCC3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3(CCCCCC3)C#N

InChI

InChI=1S/C22H32N4O3S/c1-18-7-8-19(2)20(15-18)30(28,29)26-13-11-25(12-14-26)16-21(27)24-22(17-23)9-5-3-4-6-10-22/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,24,27)