N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-2-nitro-benzenesulfonamide Formula: C15H24N3O5S+ MolecularWeight: 358.43316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])[NH+]2CCOCC2

Isomeric SMILES

CC(C)[C@H](CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])[NH+]2CCOCC2

InChI

InChI=1S/C15H23N3O5S/c1-12(2)14(17-7-9-23-10-8-17)11-16-24(21,22)15-6-4-3-5-13(15)18(19)20/h3-6,12,14,16H,7-11H2,1-2H3/p+1/t14-/m0/s1