2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H33N3O3S/c1-16-8-9-19(14-18(16)3)28(26,27)24-12-10-23(11-13-24)15-21(25)22-20-7-5-4-6-17(20)2/h8-9,14,17,20H,4-7,10-13,15H2,1-3H3,(H,22,25)/p+1/t17-,20+/m0/s1