(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C20H34N4O3S+2 MolecularWeight: 410.57396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H32N4O3S/c1-3-21-9-11-23(12-10-21)20(25)18(2)22-13-15-24(16-14-22)28(26,27)17-19-7-5-4-6-8-19/h4-8,18H,3,9-17H2,1-2H3/p+2/t18-/m0/s1