dimethyl-[1-[[[4-(prop-2-enylsulfamoyl)phenyl]carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[[4-(prop-2-enylsulfamoyl)phenyl]carbonylamino]methyl]cycloheptyl]azanium Openeye Name: [1-[[[4-(allylsulfamoyl)benzoyl]amino]methyl]cycloheptyl]-dimethyl-ammonium CAS Name: dimethyl-[1-[[[oxo-[4-(prop-2-enylsulfamoyl)phenyl]methyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]cycloheptyl]azanium Traditional Name: [1-[[[4-(allylsulfamoyl)benzoyl]amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C

InChI

InChI=1S/C20H31N3O3S/c1-4-15-22-27(25,26)18-11-9-17(10-12-18)19(24)21-16-20(23(2)3)13-7-5-6-8-14-20/h4,9-12,22H,1,5-8,13-16H2,2-3H3,(H,21,24)/p+1