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

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1,4-dimethylpentyl]acetamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1,4-dimethylpentyl]acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H33N3O3S/c1-17(2)9-10-18(3)21-20(24)15-22-11-13-23(14-12-22)27(25,26)16-19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3,(H,21,24)/p+1/t18-/m0/s1