4-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[2-[(2S,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-2-methylpropyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methylpropyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H29N4O5S+ MolecularWeight: 401.50096

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C(C)(C)CNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1C[NH+](C[C@@H](O1)C)C(C)(C)CNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O5S/c1-12-9-20(10-13(2)26-12)17(3,4)11-19-15-7-6-14(27(24,25)18-5)8-16(15)21(22)23/h6-8,12-13,18-19H,9-11H2,1-5H3/p+1/t12-,13+