2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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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)NC(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3S/c1-5-17(4)18-8-10-20(11-9-18)28(26,27)24-14-12-23(13-15-24)16-21(25)22-19(6-2)7-3/h8-11,17,19H,5-7,12-16H2,1-4H3,(H,22,25)/p+1/t17-/m0/s1