N-[(2S)-6-methylheptan-2-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1,5-dimethylhexyl]acetamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-6-methylheptan-2-yl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1,5-dimethylhexyl]acetamide Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3S/c1-18(2)8-7-9-19(3)22-21(25)16-23-12-14-24(15-13-23)28(26,27)17-20-10-5-4-6-11-20/h4-6,10-11,18-19H,7-9,12-17H2,1-3H3,(H,22,25)/p+1/t19-/m0/s1