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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C16H24Cl2N3O3S+ MolecularWeight: 409.35106

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H23Cl2N3O3S/c1-3-12(2)19-16(22)11-20-6-8-21(9-7-20)25(23,24)13-4-5-14(17)15(18)10-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,22)/p+1/t12-/m0/s1