N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H31N3O4S/c1-25(2)31(28,29)21-9-7-8-19(16-21)24-23(27)17-26-15-6-4-5-10-22(26)18-11-13-20(30-3)14-12-18/h7-9,11-14,16,22H,4-6,10,15,17H2,1-3H3,(H,24,27)/p+1/t22-/m1/s1