N-[(2S)-butan-2-yl]-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-6-16(2)21-19(24)15-22-11-13-23(14-12-22)27(25,26)18-9-7-17(8-10-18)20(3,4)5/h7-10,16H,6,11-15H2,1-5H3,(H,21,24)/p+1/t16-/m0/s1