(2S)-N-tert-butyl-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-tert-butyl-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-tert-butyl-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-tert-butyl-2-[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-tert-butyl-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H26ClN3O3S/c1-13(16(22)19-17(2,3)4)20-9-11-21(12-10-20)25(23,24)15-8-6-5-7-14(15)18/h5-8,13H,9-12H2,1-4H3,(H,19,22)/p+1/t13-/m0/s1