[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCOCC3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCOCC3

InChI

InChI=1S/C22H33N3O6S/c1-17(21(26)25-10-6-4-5-7-11-25)31-22(27)19-16-18(32(28,29)23(2)3)8-9-20(19)24-12-14-30-15-13-24/h8-9,16-17H,4-7,10-15H2,1-3H3/t17-/m1/s1