N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethyl-5-sulfamoyl-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:

CC1=CC(=CC(=C1C)NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)NC(=O)C[NH+]2CCCCC[C@@H]2C3=CC=C(C=C3)OC)S(=O)(=O)N

InChI

InChI=1S/C23H31N3O4S/c1-16-13-20(31(24,28)29)14-21(17(16)2)25-23(27)15-26-12-6-4-5-7-22(26)18-8-10-19(30-3)11-9-18/h8-11,13-14,22H,4-7,12,15H2,1-3H3,(H,25,27)(H2,24,28,29)/p+1/t22-/m1/s1