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

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CCCCC3C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H]3CCCC[C@@H]3C

InChI

InChI=1S/C21H33N3O4S/c1-3-28-18-8-10-19(11-9-18)29(26,27)24-14-12-23(13-15-24)16-21(25)22-20-7-5-4-6-17(20)2/h8-11,17,20H,3-7,12-16H2,1-2H3,(H,22,25)/p+1/t17-,20-/m0/s1