N-[(2S)-butan-2-yl]-2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(5-tert-butyl-2-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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