2-[2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-methyl-ethanamide

Systemtic Name: 2-[2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-methyl-ethanamide Openeye Name: N-methyl-2-[[2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: 2-[[2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-methylacetamide IUPAC Name: 2-[[2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-methylacetamide Traditional Name: N-methyl-2-[[2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(=O)NC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(=O)NC

InChI

InChI=1S/C19H30N4O4S/c1-4-15(2)16-5-7-17(8-6-16)28(26,27)23-11-9-22(10-12-23)14-19(25)21-13-18(24)20-3/h5-8,15H,4,9-14H2,1-3H3,(H,20,24)(H,21,25)/p+1/t15-/m0/s1