2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C)CCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@@H](C)CCC(C)C

InChI

InChI=1S/C21H35N3O3S/c1-16(2)6-9-19(5)22-21(25)15-23-10-12-24(13-11-23)28(26,27)20-14-17(3)7-8-18(20)4/h7-8,14,16,19H,6,9-13,15H2,1-5H3,(H,22,25)/p+1/t19-/m0/s1