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

Systemtic Name: N,N-diethyl-4-[3-[(4-methylphenyl)methyl]-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Openeye Name: 4-[2-anilino-3-(p-tolylmethyl)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-anilino-3-[(4-methylphenyl)methyl]-4-thiazol-3-iumyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-anilino-3-[(4-methylphenyl)methyl]-1,3-thiazol-3-ium-4-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-anilino-3-(4-methylbenzyl)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C27H30N3O2S2+ MolecularWeight: 492.676

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=C(C=C3)C)NC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC=C(C=C3)C)NC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S2/c1-4-29(5-2)34(31,32)25-17-15-23(16-18-25)26-20-33-27(28-24-9-7-6-8-10-24)30(26)19-22-13-11-21(3)12-14-22/h6-18,20H,4-5,19H2,1-3H3/p+1