N,N-diethyl-4-[2-[(4-methylphenyl)amino]-3-phenethyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-[(4-methylphenyl)amino]-3-phenethyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(4-methylanilino)-3-phenethyl-thiazol-3-ium-4-yl]benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(4-methylanilino)-3-phenethyl-4-thiazol-3-iumyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(4-methylanilino)-3-phenethyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[3-phenethyl-2-(p-toluidino)thiazol-3-ium-4-yl]benzenesulfonamide Formula: C28H32N3O2S2+ MolecularWeight: 506.70258

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCC3=CC=CC=C3)NC4=CC=C(C=C4)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCC3=CC=CC=C3)NC4=CC=C(C=C4)C

InChI

InChI=1S/C28H31N3O2S2/c1-4-30(5-2)35(32,33)26-17-13-24(14-18-26)27-21-34-28(29-25-15-11-22(3)12-16-25)31(27)20-19-23-9-7-6-8-10-23/h6-18,21H,4-5,19-20H2,1-3H3/p+1