N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-nitro-benzenesulfonamide Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O4S/c1-12-5-3-4-10-17(12)13(2)11-16-23(21,22)15-8-6-14(7-9-15)18(19)20/h6-9,12-13,16H,3-5,10-11H2,1-2H3/p+1/t12-,13-/m0/s1