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

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-16-7-9-18(10-8-16)27(25,26)23-13-11-22(12-14-23)15-20(24)21-19-6-4-3-5-17(19)2/h7-10,17,19H,3-6,11-15H2,1-2H3,(H,21,24)/p+1/t17-,19-/m0/s1