N-tert-butyl-2-[4-[4-(dimethylsulfamoyl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(dimethylsulfamoyl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(dimethylsulfamoyl)benzoyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-(dimethylsulfamoyl)phenyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(dimethylsulfamoyl)benzoyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(dimethylsulfamoyl)benzoyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H32N4O4S/c1-20(2,3)21-18(25)15-23-11-6-12-24(14-13-23)19(26)16-7-9-17(10-8-16)29(27,28)22(4)5/h7-10H,6,11-15H2,1-5H3,(H,21,25)/p+1