N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-yl-propan-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-yl-propan-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-1-(4-morpholin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-nitro-benzenesulfonamide Formula: C17H22N3O5S2+ MolecularWeight: 412.50368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S2/c1-13(17(16-3-2-12-26-16)19-8-10-25-11-9-19)18-27(23,24)15-6-4-14(5-7-15)20(21)22/h2-7,12-13,17-18H,8-11H2,1H3/p+1/t13-,17-/m1/s1