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

Systemtic Name: (2S)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propionamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-4-8-19-18(23)14(2)20-9-11-21(12-10-20)26(24,25)17-7-5-6-16(13-17)15(3)22/h5-7,13-14H,4,8-12H2,1-3H3,(H,19,23)/p+1/t14-/m0/s1