N-(2,3-dimethylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-(4-tosylpiperazino)acetamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H33N3O3S/c1-16-7-9-19(10-8-16)28(26,27)24-13-11-23(12-14-24)15-21(25)22-20-6-4-5-17(2)18(20)3/h7-10,17-18,20H,4-6,11-15H2,1-3H3,(H,22,25)