2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-5-methylhexan-2-yl]ethanamide Openeye Name: N-[(1R)-1,4-dimethylpentyl]-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2R)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide Traditional Name: N-[(1R)-1,4-dimethylpentyl]-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H36N3O4S+ MolecularWeight: 426.59324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O4S/c1-5-28-19-8-10-20(11-9-19)29(26,27)24-14-12-23(13-15-24)16-21(25)22-18(4)7-6-17(2)3/h8-11,17-18H,5-7,12-16H2,1-4H3,(H,22,25)/p+1/t18-/m1/s1