3-[[4-chloranyl-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-chloranyl-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-chloro-3-(p-phenetylsulfamoyl)benzoyl]amino]propyl-dimethyl-ammonium Formula: C20H27ClN3O4S+ MolecularWeight: 440.96408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+](C)C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+](C)C)Cl

InChI

InChI=1S/C20H26ClN3O4S/c1-4-28-17-9-7-16(8-10-17)23-29(26,27)19-14-15(6-11-18(19)21)20(25)22-12-5-13-24(2)3/h6-11,14,23H,4-5,12-13H2,1-3H3,(H,22,25)/p+1