(2S)-2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propionamide Formula: C18H28FN4O4S+ MolecularWeight: 415.502723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN4O4S/c1-3-7-20-18(25)14(2)21-17(24)13-22-8-10-23(11-9-22)28(26,27)16-6-4-5-15(19)12-16/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,20,25)(H,21,24)/p+1/t14-/m0/s1