(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Formula: C17H30N4O3S2+2 MolecularWeight: 402.5751

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H28N4O3S2/c1-3-18-6-8-20(9-7-18)17(22)15(2)19-10-12-21(13-11-19)26(23,24)16-5-4-14-25-16/h4-5,14-15H,3,6-13H2,1-2H3/p+2/t15-/m0/s1