2-[[2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2,4-bis(p-tolylsulfonyl)thiazol-5-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2,4-bis-(4-methylphenyl)sulfonyl-5-thiazolyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2,4-ditosylthiazol-5-yl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O4S3+ MolecularWeight: 480.64384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)NCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)NCC[NH+](C)C

InChI

InChI=1S/C21H25N3O4S3/c1-15-5-9-17(10-6-15)30(25,26)20-19(22-13-14-24(3)4)29-21(23-20)31(27,28)18-11-7-16(2)8-12-18/h5-12,22H,13-14H2,1-4H3/p+1