2-[4-[3,4-dimethyl-5-(methylsulfamoyl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[3,4-dimethyl-5-(methylsulfamoyl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)N2CCC[NH+](CC2)CC(=O)N(C)C)S(=O)(=O)NC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)N2CCC[NH+](CC2)CC(=O)N(C)C)S(=O)(=O)NC)C

InChI

InChI=1S/C19H30N4O4S/c1-14-11-16(12-17(15(14)2)28(26,27)20-3)19(25)23-8-6-7-22(9-10-23)13-18(24)21(4)5/h11-12,20H,6-10,13H2,1-5H3/p+1