2-[[4-cycloheptyl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-cycloheptyl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[[4-cycloheptyl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[4-cycloheptyl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[4-cycloheptyl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[[4-cycloheptyl-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]thio]ethyl-dimethyl-ammonium Formula: C23H38N5O2S2+ MolecularWeight: 480.71012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3CCCCCC3)SCC[NH+](C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3CCCCCC3)SCC[NH+](C)C

InChI

InChI=1S/C23H37N5O2S2/c1-5-27(6-2)32(29,30)21-15-11-12-19(18-21)22-24-25-23(31-17-16-26(3)4)28(22)20-13-9-7-8-10-14-20/h11-12,15,18,20H,5-10,13-14,16-17H2,1-4H3/p+1