(4-dimethylaminophenyl)methyl-[2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-ethylazanium Traditional Name: [4-(dimethylamino)benzyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-keto-ethyl]-ethyl-ammonium Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H30N4O3S/c1-6-25(15-17-10-12-19(13-11-17)23(2)3)16-21(26)22-18-8-7-9-20(14-18)29(27,28)24(4)5/h7-14H,6,15-16H2,1-5H3,(H,22,26)/p+1