3-(dimethylsulfamoyl)-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]benzamide

Systemtic Name: 3-(dimethylsulfamoyl)-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]benzamide Openeye Name: 3-(dimethylsulfamoyl)-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzamide CAS Name: 3-(dimethylsulfamoyl)-N-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]benzamide IUPAC Name: 3-(dimethylsulfamoyl)-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]benzamide Traditional Name: 3-(dimethylsulfamoyl)-N-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]benzamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H29N3O4S/c1-17(21(18-8-5-4-6-9-18)25-12-14-29-15-13-25)23-22(26)19-10-7-11-20(16-19)30(27,28)24(2)3/h4-11,16-17,21H,12-15H2,1-3H3,(H,23,26)/p+1/t17-,21-/m1/s1