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

Systemtic Name: (2S)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propionamide Formula: C16H24Cl2N3O3S+ MolecularWeight: 409.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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