N-(4-methylphenyl)-N-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-nitro-N-(p-tolyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propyl]-N-(4-methylphenyl)-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-N-(4-methylphenyl)-4-nitrobenzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-nitro-N-(p-tolyl)benzenesulfonamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H29N3O5S/c1-17-3-5-19(6-4-17)24(16-21(26)15-23-13-11-18(2)12-14-23)31(29,30)22-9-7-20(8-10-22)25(27)28/h3-10,18,21,26H,11-16H2,1-2H3/p+1/t21-/m0/s1